3-amino-4-[(4-methoxybenzoyl)amino]benzoic acid

C15H14N2O4 — CID 63117294

IUPAC3-amino-4-[(4-methoxybenzoyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)O)cc2N)cc1
InChIInChI=1S/C15H14N2O4/c1-21-11-5-2-9(3-6-11)14(18)17-13-7-4-10(15(19)20)8-12(13)16/h2-8H,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyOVEJOPWFCUMSMX-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.23
Rot. Bonds4

About 3-amino-4-[(4-methoxybenzoyl)amino]benzoic acid

3-amino-4-[(4-methoxybenzoyl)amino]benzoic acid (PubChem CID 63117294) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-amino-4-[(4-methoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-amino-4-[(4-methoxybenzoyl)amino]benzoic acid
PubChem CID63117294
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name3-amino-4-[(4-methoxybenzoyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)O)cc2N)cc1
InChIInChI=1S/C15H14N2O4/c1-21-11-5-2-9(3-6-11)14(18)17-13-7-4-10(15(19)20)8-12(13)16/h2-8H,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyOVEJOPWFCUMSMX-UHFFFAOYSA-N
XLogP2.23
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.23
H-Bond Donors ≤ 53
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-methoxyphenyl)naphthalene-2-carboxamide
CID 16775616
N-(2-amino-4-methoxyphenyl)pyridine-4-carboxamide
CID 16776915
methyl 3-amino-4-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
CID 122424116
3-amino-4-[(3,4-dimethylbenzoyl)amino]benzoic acid
CID 63117351
N-(2-amino-4-methoxyphenyl)-3,4-dichlorobenzamide
CID 16777237
(2-amino-4-methoxyphenyl)carbamic acid
CID 22317519
N-(2-amino-4-methoxyphenyl)pyrimidine-5-carboxamide
CID 102921224
N-(2-amino-4-ethoxyphenyl)-4-ethoxybenzamide
CID 91687646
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
N-(2-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide
CID 107997479
N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine
CID 66894745
N-(2,4-dihydroxyphenyl)-4-methoxybenzamide
CID 141075428

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(4-methoxybenzoyl)amino]benzoic acid?
The IUPAC name of 3-amino-4-[(4-methoxybenzoyl)amino]benzoic acid (CID 63117294) is 3-amino-4-[(4-methoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-amino-4-[(4-methoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 3-amino-4-[(4-methoxybenzoyl)amino]benzoic acid is COc1ccc(C(=O)Nc2ccc(C(=O)O)cc2N)cc1.
What is the InChIKey of 3-amino-4-[(4-methoxybenzoyl)amino]benzoic acid?
The InChIKey is OVEJOPWFCUMSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-21-11-5-2-9(3-6-11)14(18)17-13-7-4-10(15(19)20)8-12(13)16/h2-8H,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-amino-4-[(4-methoxybenzoyl)amino]benzoic acid?
3-amino-4-[(4-methoxybenzoyl)amino]benzoic acid has a molecular weight of 286.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(4-methoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 63117294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).