3-(4-methoxyphenyl)-5-[(4-methylbenzoyl)amino]benzoic acid

C22H19NO4 — CID 164625810

IUPAC3-(4-methoxyphenyl)-5-[(4-methylbenzoyl)amino]benzoic acid
SMILESCOc1ccc(-c2cc(NC(=O)c3ccc(C)cc3)cc(C(=O)O)c2)cc1
InChIInChI=1S/C22H19NO4/c1-14-3-5-16(6-4-14)21(24)23-19-12-17(11-18(13-19)22(25)26)15-7-9-20(27-2)10-8-15/h3-13H,1-2H3,(H,23,24)(H,25,26)
InChIKeyZAZJLSMCOKDFAP-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.62
Rot. Bonds5

About 3-(4-methoxyphenyl)-5-[(4-methylbenzoyl)amino]benzoic acid

3-(4-methoxyphenyl)-5-[(4-methylbenzoyl)amino]benzoic acid (PubChem CID 164625810) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-[(4-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-[(4-methylbenzoyl)amino]benzoic acid
PubChem CID164625810
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name3-(4-methoxyphenyl)-5-[(4-methylbenzoyl)amino]benzoic acid
SMILESCOc1ccc(-c2cc(NC(=O)c3ccc(C)cc3)cc(C(=O)O)c2)cc1
InChIInChI=1S/C22H19NO4/c1-14-3-5-16(6-4-14)21(24)23-19-12-17(11-18(13-19)22(25)26)15-7-9-20(27-2)10-8-15/h3-13H,1-2H3,(H,23,24)(H,25,26)
InChIKeyZAZJLSMCOKDFAP-UHFFFAOYSA-N
XLogP4.62
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-methoxyphenyl)-5-[(4-methylbenzoyl)amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzamido-5-(3-methoxyphenyl)benzoic acid
CID 171782860
3-[4-(hydroxycarbamoyl)phenyl]-N-[2-(4-methoxyphenyl)ethyl]-5-[(4-methylbenzoyl)amino]benzamide
CID 87916092
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
N-(3,5-dimethylphenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651159
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324
N-hydroxy-4-[3-[(4-methoxybenzoyl)amino]-5-(morpholine-4-carbonyl)phenyl]benzamide
CID 10217375
3-(4-methylphenyl)-5-(prop-2-enoylamino)benzoic acid
CID 178084000
6-methoxy-N-[4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57392645
N-[3-chloro-5-[(4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 68786791
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(4-methylphenyl)benzamide
CID 53116673
4-methoxy-N-[4-(2-methyl-4-pyridinyl)phenyl]benzamide
CID 42640422
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-[(4-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 3-(4-methoxyphenyl)-5-[(4-methylbenzoyl)amino]benzoic acid (CID 164625810) is 3-(4-methoxyphenyl)-5-[(4-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-[(4-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 3-(4-methoxyphenyl)-5-[(4-methylbenzoyl)amino]benzoic acid is COc1ccc(-c2cc(NC(=O)c3ccc(C)cc3)cc(C(=O)O)c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-[(4-methylbenzoyl)amino]benzoic acid?
The InChIKey is ZAZJLSMCOKDFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-14-3-5-16(6-4-14)21(24)23-19-12-17(11-18(13-19)22(25)26)15-7-9-20(27-2)10-8-15/h3-13H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 3-(4-methoxyphenyl)-5-[(4-methylbenzoyl)amino]benzoic acid?
3-(4-methoxyphenyl)-5-[(4-methylbenzoyl)amino]benzoic acid has a molecular weight of 361.40 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-[(4-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 164625810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).