4-amino-2-[(2-hydroxy-4-methylbenzoyl)amino]benzoic acid

C15H14N2O4 — CID 63116147

IUPAC4-amino-2-[(2-hydroxy-4-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2cc(N)ccc2C(=O)O)c(O)c1
InChIInChI=1S/C15H14N2O4/c1-8-2-4-11(13(18)6-8)14(19)17-12-7-9(16)3-5-10(12)15(20)21/h2-7,18H,16H2,1H3,(H,17,19)(H,20,21)
InChIKeyKVYIMCRTSIOFOX-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.23
Rot. Bonds3

About 4-amino-2-[(2-hydroxy-4-methylbenzoyl)amino]benzoic acid

4-amino-2-[(2-hydroxy-4-methylbenzoyl)amino]benzoic acid (PubChem CID 63116147) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-amino-2-[(2-hydroxy-4-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-amino-2-[(2-hydroxy-4-methylbenzoyl)amino]benzoic acid
PubChem CID63116147
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name4-amino-2-[(2-hydroxy-4-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2cc(N)ccc2C(=O)O)c(O)c1
InChIInChI=1S/C15H14N2O4/c1-8-2-4-11(13(18)6-8)14(19)17-12-7-9(16)3-5-10(12)15(20)21/h2-7,18H,16H2,1H3,(H,17,19)(H,20,21)
InChIKeyKVYIMCRTSIOFOX-UHFFFAOYSA-N
XLogP2.23
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4,5-dimethylphenyl)-2-hydroxy-4-methylbenzamide
CID 62097745
4-amino-2-chloro-N-(2-hydroxy-4-methylphenyl)benzamide
CID 3359174
4-amino-2-[(3,4-dihydroxybenzoyl)amino]benzoic acid
CID 107727925
5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid
CID 63115622
4-amino-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674554
N-(2-amino-4-bromophenyl)-2-hydroxy-4-methylbenzamide
CID 29008265
4-amino-2-[(5-methylthiophene-2-carbonyl)amino]benzoic acid
CID 55178097
N-(2-fluoro-4-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 28881726
N-(2-chloro-5-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 103769568
5-amino-2-[(2-bromo-5-methylbenzoyl)amino]benzoic acid
CID 81111004
N-(4-amino-5-chloro-2-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 104667390
ethane;2-hydroxy-4-methylbenzoic acid
CID 145280120

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2-hydroxy-4-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 4-amino-2-[(2-hydroxy-4-methylbenzoyl)amino]benzoic acid (CID 63116147) is 4-amino-2-[(2-hydroxy-4-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-amino-2-[(2-hydroxy-4-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 4-amino-2-[(2-hydroxy-4-methylbenzoyl)amino]benzoic acid is Cc1ccc(C(=O)Nc2cc(N)ccc2C(=O)O)c(O)c1.
What is the InChIKey of 4-amino-2-[(2-hydroxy-4-methylbenzoyl)amino]benzoic acid?
The InChIKey is KVYIMCRTSIOFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-8-2-4-11(13(18)6-8)14(19)17-12-7-9(16)3-5-10(12)15(20)21/h2-7,18H,16H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 4-amino-2-[(2-hydroxy-4-methylbenzoyl)amino]benzoic acid?
4-amino-2-[(2-hydroxy-4-methylbenzoyl)amino]benzoic acid has a molecular weight of 286.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2-hydroxy-4-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 63116147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).