4-[(3-bromo-2-fluorobenzoyl)amino]-3-chlorobenzoic acid

C14H8BrClFNO3 — CID 107949226

IUPAC4-[(3-bromo-2-fluorobenzoyl)amino]-3-chlorobenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cccc(Br)c2F)c(Cl)c1
InChIInChI=1S/C14H8BrClFNO3/c15-9-3-1-2-8(12(9)17)13(19)18-11-5-4-7(14(20)21)6-10(11)16/h1-6H,(H,18,19)(H,20,21)
InChIKeyOCWQFTOSEJASLV-UHFFFAOYSA-N
MW372.58 g/mol
LogP4.19
Rot. Bonds3

About 4-[(3-bromo-2-fluorobenzoyl)amino]-3-chlorobenzoic acid

4-[(3-bromo-2-fluorobenzoyl)amino]-3-chlorobenzoic acid (PubChem CID 107949226) has the molecular formula C14H8BrClFNO3 and a molecular weight of 372.58 g/mol. Its IUPAC name is 4-[(3-bromo-2-fluorobenzoyl)amino]-3-chlorobenzoic acid.

Molecular Properties

Compound Name4-[(3-bromo-2-fluorobenzoyl)amino]-3-chlorobenzoic acid
PubChem CID107949226
Molecular FormulaC14H8BrClFNO3
Molecular Weight372.58 g/mol
Exact Mass370.94
IUPAC Name4-[(3-bromo-2-fluorobenzoyl)amino]-3-chlorobenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cccc(Br)c2F)c(Cl)c1
InChIInChI=1S/C14H8BrClFNO3/c15-9-3-1-2-8(12(9)17)13(19)18-11-5-4-7(14(20)21)6-10(11)16/h1-6H,(H,18,19)(H,20,21)
InChIKeyOCWQFTOSEJASLV-UHFFFAOYSA-N
XLogP4.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-[(3-bromo-2-fluorobenzoyl)amino]benzoic acid
CID 107948835
4-[(2-bromo-6-fluorobenzoyl)amino]-3-chlorobenzoic acid
CID 114558539
3-chloro-4-[(2,3-dihydroxybenzoyl)amino]benzoic acid
CID 114343365
3-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-fluorobenzamide
CID 107953841
3-bromo-N-(2-chloro-5-methylphenyl)-2-fluorobenzamide
CID 106547569
3-bromo-N-(2,6-dichlorophenyl)-2-fluorobenzamide
CID 107951647
N-(4-carbamothioyl-2-chlorophenyl)-3-chloro-2-fluorobenzamide
CID 107808358
4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190036
3-bromo-N-(4-carbamoyl-2-methylphenyl)-2-fluorobenzamide
CID 106544246
3-bromo-N-(4-chloro-3-pyridinyl)-2-fluorobenzamide
CID 106548031
N-(2-amino-5-chlorophenyl)-3-bromo-2-fluorobenzamide
CID 107948709
3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 106543986

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-2-fluorobenzoyl)amino]-3-chlorobenzoic acid?
The IUPAC name of 4-[(3-bromo-2-fluorobenzoyl)amino]-3-chlorobenzoic acid (CID 107949226) is 4-[(3-bromo-2-fluorobenzoyl)amino]-3-chlorobenzoic acid.
What is the SMILES notation for 4-[(3-bromo-2-fluorobenzoyl)amino]-3-chlorobenzoic acid?
The canonical SMILES for 4-[(3-bromo-2-fluorobenzoyl)amino]-3-chlorobenzoic acid is O=C(O)c1ccc(NC(=O)c2cccc(Br)c2F)c(Cl)c1.
What is the InChIKey of 4-[(3-bromo-2-fluorobenzoyl)amino]-3-chlorobenzoic acid?
The InChIKey is OCWQFTOSEJASLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClFNO3/c15-9-3-1-2-8(12(9)17)13(19)18-11-5-4-7(14(20)21)6-10(11)16/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 4-[(3-bromo-2-fluorobenzoyl)amino]-3-chlorobenzoic acid?
4-[(3-bromo-2-fluorobenzoyl)amino]-3-chlorobenzoic acid has a molecular weight of 372.58 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-2-fluorobenzoyl)amino]-3-chlorobenzoic acid is sourced from PubChem (CID 107949226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).