2-Naphthalenecarboxamide, N-[4-(acetylamino)phenyl]-3-hydroxy- (CED0179116)

Record Information

Version

1.0

Creation Date

2026-03-26 21:47:58 UTC

Update Date

2026-08-20 02:06:52 UTC

SynCED ID

CED0179116

Secondary Accession Numbers

CHEM056536

Identification

Common Name

2-Naphthalenecarboxamide, N-[4-(acetylamino)phenyl]-3-hydroxy-

Class

Small Molecule

Description

2-Naphthalenecarboxamide, N-[4-(acetylamino)phenyl]-3-hydroxy- belongs to the naphthalenecarboxylic acids and derivatives, a subclass of naphthalenes within the organic compounds. This benzenoid compound has the formula C19H16N2O3 and an average molecular weight of 320.35 g/mol. It has been found in or released from one recorded source: drinking water and water supply (drinking water). The recorded exposure route for this substance is oral.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₉H₁₆N₂O₃

Average Molecular Mass

320.348 g/mol

Monoisotopic Mass

320.116 g/mol

CAS Registry Number

41506-62-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(=O)NC1=CC=C(NC(=O)C2=C(O)C=C3C=CC=CC3=C2)C=C1

InChI Identifier

InChI=1S/C19H16N2O3/c1-12(22)20-15-6-8-16(9-7-15)21-19(24)17-10-13-4-2-3-5-14(13)11-18(17)23/h2-11,23H,1H3,(H,20,22)(H,21,24)

InChI Key

MSRUOXBBGPWHEG-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as naphthalene-2-carboxanilides. These are naphthalene-2-carboxamides, where the carboxamide group is substituted with an aniline.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Naphthalenes

Sub Class

Naphthalenecarboxylic acids and derivatives

Direct Parent

Naphthalene-2-carboxanilides

Alternative Parents

Substituents

Naphthalene-2-carboxanilide
Aromatic anilide
2-naphthol
Acetanilide
Salicylic acid or derivatives
N-acetylarylamine
Anilide
N-arylamide
1-hydroxy-2-unsubstituted benzenoid
Monocyclic benzene moiety
Vinylogous acid
Acetamide
Secondary carboxylic acid amide
Carboxamide group
Carboxylic acid derivative
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Carbonyl group
Organic oxygen compound
Organic nitrogen compound
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic compounds

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2476.0 Log mg/kg [1400:4400]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000115	Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.	Drinking water & water supply	Not Available
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Sentrin-specific protease 7	Q9BQF6	Humans	Predicted (SEA)	Prediction Confidence Score 0.387 Applicability Domain 0.444 Statistical Significance 5.40e-04 Supporting Reference Compounds 118 E-value 4.20386
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.385 Applicability Domain 0.486 Statistical Significance 0.0095 Supporting Reference Compounds 472 E-value 73.8011
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	Prediction Confidence Score 0.376 Applicability Domain 0.429 Statistical Significance 0.0045 Supporting Reference Compounds 241 E-value 35.1878
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.373 Applicability Domain 0.486 Statistical Significance 0.01 Supporting Reference Compounds 407 E-value 78.1606
Click to view 3D structure	Plasminogen	P00747	Humans	Predicted (SEA)	Prediction Confidence Score 0.369 Applicability Domain 0.417 Statistical Significance 0.0103 Supporting Reference Compounds 195 E-value 80.4961
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.367 Applicability Domain 0.486 Statistical Significance 0.0093 Supporting Reference Compounds 332 E-value 72.2441
Click to view 3D structure	Major prion protein	P23907	Ovis aries	Predicted (SEA)	Prediction Confidence Score 0.365 Applicability Domain 0.479 Statistical Significance 4.00e-05 Supporting Reference Compounds 2 E-value 0.311397
Click to view 3D structure	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.364 Applicability Domain 0.469 Statistical Significance 0.0016 Supporting Reference Compounds 205 E-value 12.1445
Click to view 3D structure	Urokinase-type plasminogen activator	P00749	Humans	Predicted (SEA)	Prediction Confidence Score 0.364 Applicability Domain 0.42 Statistical Significance 0.0032 Supporting Reference Compounds 151 E-value 25.1453
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.361 Applicability Domain 0.469 Statistical Significance 0.0039 Supporting Reference Compounds 425 E-value 30.1276
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	Prediction Confidence Score 0.357 Applicability Domain 0.469 Statistical Significance 0.006 Supporting Reference Compounds 343 E-value 47.0209
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	Prediction Confidence Score 0.351 Applicability Domain 0.422 Statistical Significance 0.0225 Supporting Reference Compounds 497 E-value 175.394
Click to view 3D structure	Transmembrane protease serine 4	Q9NRS4	Humans	Predicted (SEA)	Prediction Confidence Score 0.346 Applicability Domain 0.346 Statistical Significance 3.30e-04 Supporting Reference Compounds 1 E-value 2.56902
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.345 Applicability Domain 0.39 Statistical Significance 0.0023 Supporting Reference Compounds 296 E-value 17.5939
Click to view 3D structure	Tissue-type plasminogen activator	P00750	Humans	Predicted (SEA)	Prediction Confidence Score 0.345 Applicability Domain 0.42 Statistical Significance 0.0043 Supporting Reference Compounds 120 E-value 33.3195
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.345 Applicability Domain 0.486 Statistical Significance 0.0596 Supporting Reference Compounds 1538 E-value 464.059
Click to view 3D structure	Aldo-keto reductase family 1 member C3	P42330	Humans	Predicted (SEA)	Prediction Confidence Score 0.343 Applicability Domain 0.44 Statistical Significance 0.002 Supporting Reference Compounds 57 E-value 15.4141
Click to view 3D structure	Kallikrein-1	P06870	Humans	Predicted (SEA)	Prediction Confidence Score 0.342 Applicability Domain 0.392 Statistical Significance 0.0036 Supporting Reference Compounds 74 E-value 28.2593
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.338 Applicability Domain 0.364 Statistical Significance 0.0163 Supporting Reference Compounds 372 E-value 126.816
Click to view 3D structure	Plasma kallikrein	P03952	Humans	Predicted (SEA)	Prediction Confidence Score 0.338 Applicability Domain 0.4 Statistical Significance 0.0132 Supporting Reference Compounds 158 E-value 102.45
Click to view 3D structure	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	Prediction Confidence Score 0.336 Applicability Domain 0.404 Statistical Significance 0.0041 Supporting Reference Compounds 136 E-value 32.0739
Click to view 3D structure	Coagulation factor X	P00742	Humans	Predicted (SEA)	Prediction Confidence Score 0.336 Applicability Domain 0.42 Statistical Significance 0.0194 Supporting Reference Compounds 284 E-value 151.183
Click to view 3D structure	Prothrombin	P00734	Humans	Predicted (SEA)	Prediction Confidence Score 0.335 Applicability Domain 0.362 Statistical Significance 0.0229 Supporting Reference Compounds 331 E-value 178.508
Click to view 3D structure	Mitogen-activated protein kinase 1	P28482	Humans	Predicted (SEA)	Prediction Confidence Score 0.334 Applicability Domain 0.378 Statistical Significance 0.0432 Supporting Reference Compounds 763 E-value 336.231
Click to view 3D structure	D-alanine--D-alanine ligase	Q47758	Enterococcus faecalis (strain ATCC 700802 / V583)	Predicted (SEA)	Prediction Confidence Score 0.334 Applicability Domain 0.34 Statistical Significance 2.50e-04 Supporting Reference Compounds 3 E-value 1.94623