4-[(4-bromobenzoyl)amino]benzoic acid

C14H10BrNO3 — CID 754316

IUPAC4-[(4-bromobenzoyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H10BrNO3/c15-11-5-1-9(2-6-11)13(17)16-12-7-3-10(4-8-12)14(18)19/h1-8H,(H,16,17)(H,18,19)
InChIKeyIUVOXSXSRZAFFM-UHFFFAOYSA-N
MW320.14 g/mol
LogP3.40
Rot. Bonds3

About 4-[(4-bromobenzoyl)amino]benzoic acid

4-[(4-bromobenzoyl)amino]benzoic acid (PubChem CID 754316) has the molecular formula C14H10BrNO3 and a molecular weight of 320.14 g/mol. Its IUPAC name is 4-[(4-bromobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(4-bromobenzoyl)amino]benzoic acid
PubChem CID754316
Molecular FormulaC14H10BrNO3
Molecular Weight320.14 g/mol
Exact Mass318.98
IUPAC Name4-[(4-bromobenzoyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H10BrNO3/c15-11-5-1-9(2-6-11)13(17)16-12-7-3-10(4-8-12)14(18)19/h1-8H,(H,16,17)(H,18,19)
InChIKeyIUVOXSXSRZAFFM-UHFFFAOYSA-N
XLogP3.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.14
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(4-bromobenzoyl)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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromobenzoyl)amino]benzoic acid?
The IUPAC name of 4-[(4-bromobenzoyl)amino]benzoic acid (CID 754316) is 4-[(4-bromobenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-[(4-bromobenzoyl)amino]benzoic acid?
The canonical SMILES for 4-[(4-bromobenzoyl)amino]benzoic acid is O=C(O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[(4-bromobenzoyl)amino]benzoic acid?
The InChIKey is IUVOXSXSRZAFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO3/c15-11-5-1-9(2-6-11)13(17)16-12-7-3-10(4-8-12)14(18)19/h1-8H,(H,16,17)(H,18,19).
What are the key properties of 4-[(4-bromobenzoyl)amino]benzoic acid?
4-[(4-bromobenzoyl)amino]benzoic acid has a molecular weight of 320.14 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromobenzoyl)amino]benzoic acid is sourced from PubChem (CID 754316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).