4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid

C14H9BrClNO3 — CID 28667151

IUPAC4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccccc2Br)cc1Cl
InChIInChI=1S/C14H9BrClNO3/c15-11-4-2-1-3-9(11)13(18)17-8-5-6-10(14(19)20)12(16)7-8/h1-7H,(H,17,18)(H,19,20)
InChIKeyIBJNSWKMZYSNKS-UHFFFAOYSA-N
MW354.59 g/mol
LogP4.05
Rot. Bonds3

About 4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid

4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid (PubChem CID 28667151) has the molecular formula C14H9BrClNO3 and a molecular weight of 354.59 g/mol. Its IUPAC name is 4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid.

Molecular Properties

Compound Name4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid
PubChem CID28667151
Molecular FormulaC14H9BrClNO3
Molecular Weight354.59 g/mol
Exact Mass352.95
IUPAC Name4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccccc2Br)cc1Cl
InChIInChI=1S/C14H9BrClNO3/c15-11-4-2-1-3-9(11)13(18)17-8-5-6-10(14(19)20)12(16)7-8/h1-7H,(H,17,18)(H,19,20)
InChIKeyIBJNSWKMZYSNKS-UHFFFAOYSA-N
XLogP4.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.59
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-bromophenyl)carbamoylamino]-2-chlorobenzoic acid
CID 61398747
2-bromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 47227901
4-[(2-bromofuran-3-carbonyl)amino]-2-chlorobenzoic acid
CID 106850976
2-chloro-4-[(4-phenylbenzoyl)amino]benzoic acid
CID 28668403
2-bromo-N-naphthalen-2-ylbenzamide
CID 4259663
4-[(4-amino-2-fluorobenzoyl)amino]-2-chlorobenzoic acid
CID 103869409
propan-2-yl 5-[(2-bromobenzoyl)amino]-2-chlorobenzoate
CID 507322
2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928
2-chloro-4-[(3-chlorobenzoyl)amino]benzoic acid
CID 28667452
2-chloro-4-[(4-hydroxybenzoyl)amino]benzoic acid
CID 61398494
2,4-dibromo-N-(4-bromo-3-chlorophenyl)benzamide
CID 114018393
2-[(3-acetyl-4-chlorophenyl)carbamoyl]benzoic acid
CID 85472718

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid?
The IUPAC name of 4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid (CID 28667151) is 4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid.
What is the SMILES notation for 4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid?
The canonical SMILES for 4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid is O=C(O)c1ccc(NC(=O)c2ccccc2Br)cc1Cl.
What is the InChIKey of 4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid?
The InChIKey is IBJNSWKMZYSNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClNO3/c15-11-4-2-1-3-9(11)13(18)17-8-5-6-10(14(19)20)12(16)7-8/h1-7H,(H,17,18)(H,19,20).
What are the key properties of 4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid?
4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid has a molecular weight of 354.59 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid is sourced from PubChem (CID 28667151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).