3-benzamido-5-(4-methoxy-3-methylphenyl)benzoic acid

C22H19NO4 — CID 171782837

IUPAC3-benzamido-5-(4-methoxy-3-methylphenyl)benzoic acid
SMILESCOc1ccc(-c2cc(NC(=O)c3ccccc3)cc(C(=O)O)c2)cc1C
InChIInChI=1S/C22H19NO4/c1-14-10-16(8-9-20(14)27-2)17-11-18(22(25)26)13-19(12-17)23-21(24)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,23,24)(H,25,26)
InChIKeyFEVSASUWRQJUEI-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.62
Rot. Bonds5

About 3-benzamido-5-(4-methoxy-3-methylphenyl)benzoic acid

3-benzamido-5-(4-methoxy-3-methylphenyl)benzoic acid (PubChem CID 171782837) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-benzamido-5-(4-methoxy-3-methylphenyl)benzoic acid.

Molecular Properties

Compound Name3-benzamido-5-(4-methoxy-3-methylphenyl)benzoic acid
PubChem CID171782837
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name3-benzamido-5-(4-methoxy-3-methylphenyl)benzoic acid
SMILESCOc1ccc(-c2cc(NC(=O)c3ccccc3)cc(C(=O)O)c2)cc1C
InChIInChI=1S/C22H19NO4/c1-14-10-16(8-9-20(14)27-2)17-11-18(22(25)26)13-19(12-17)23-21(24)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,23,24)(H,25,26)
InChIKeyFEVSASUWRQJUEI-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-benzamido-5-(4-methoxy-3-methylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-5-(4-methoxy-3-methylphenyl)benzoic acid?
The IUPAC name of 3-benzamido-5-(4-methoxy-3-methylphenyl)benzoic acid (CID 171782837) is 3-benzamido-5-(4-methoxy-3-methylphenyl)benzoic acid.
What is the SMILES notation for 3-benzamido-5-(4-methoxy-3-methylphenyl)benzoic acid?
The canonical SMILES for 3-benzamido-5-(4-methoxy-3-methylphenyl)benzoic acid is COc1ccc(-c2cc(NC(=O)c3ccccc3)cc(C(=O)O)c2)cc1C.
What is the InChIKey of 3-benzamido-5-(4-methoxy-3-methylphenyl)benzoic acid?
The InChIKey is FEVSASUWRQJUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-14-10-16(8-9-20(14)27-2)17-11-18(22(25)26)13-19(12-17)23-21(24)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 3-benzamido-5-(4-methoxy-3-methylphenyl)benzoic acid?
3-benzamido-5-(4-methoxy-3-methylphenyl)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-benzamido-5-(4-methoxy-3-methylphenyl)benzoic acid is sourced from PubChem (CID 171782837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).