4-[(4-bromo-2-chlorobenzoyl)amino]-3-fluorobenzoic acid

C14H8BrClFNO3 — CID 63190056

IUPAC4-[(4-bromo-2-chlorobenzoyl)amino]-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccc(Br)cc2Cl)c(F)c1
InChIInChI=1S/C14H8BrClFNO3/c15-8-2-3-9(10(16)6-8)13(19)18-12-4-1-7(14(20)21)5-11(12)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyNTTYZLHKGGKYNK-UHFFFAOYSA-N
MW372.58 g/mol
LogP4.19
Rot. Bonds3

About 4-[(4-bromo-2-chlorobenzoyl)amino]-3-fluorobenzoic acid

4-[(4-bromo-2-chlorobenzoyl)amino]-3-fluorobenzoic acid (PubChem CID 63190056) has the molecular formula C14H8BrClFNO3 and a molecular weight of 372.58 g/mol. Its IUPAC name is 4-[(4-bromo-2-chlorobenzoyl)amino]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[(4-bromo-2-chlorobenzoyl)amino]-3-fluorobenzoic acid
PubChem CID63190056
Molecular FormulaC14H8BrClFNO3
Molecular Weight372.58 g/mol
Exact Mass370.94
IUPAC Name4-[(4-bromo-2-chlorobenzoyl)amino]-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccc(Br)cc2Cl)c(F)c1
InChIInChI=1S/C14H8BrClFNO3/c15-8-2-3-9(10(16)6-8)13(19)18-12-4-1-7(14(20)21)5-11(12)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyNTTYZLHKGGKYNK-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

4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190036
3-[(4-bromo-2-chlorobenzoyl)amino]-4-hydroxybenzoic acid
CID 107264740
2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid
CID 43805401
N-(4-bromo-2-chlorophenyl)-2-chloro-4,5-difluorobenzamide
CID 3993061
4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190261
2-bromo-N-(4-bromo-2-fluorophenyl)-4-chlorobenzamide
CID 103763204
3-bromo-4-[(2-bromo-4-chlorobenzoyl)amino]benzoic acid
CID 107986722
4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-chlorobenzamide
CID 107789911
3-fluoro-4-[(2-hydroxybenzoyl)amino]benzoic acid
CID 63190129
4-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347149
4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 47299820
4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzamide
CID 81271772

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-chlorobenzoyl)amino]-3-fluorobenzoic acid?
The IUPAC name of 4-[(4-bromo-2-chlorobenzoyl)amino]-3-fluorobenzoic acid (CID 63190056) is 4-[(4-bromo-2-chlorobenzoyl)amino]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[(4-bromo-2-chlorobenzoyl)amino]-3-fluorobenzoic acid?
The canonical SMILES for 4-[(4-bromo-2-chlorobenzoyl)amino]-3-fluorobenzoic acid is O=C(O)c1ccc(NC(=O)c2ccc(Br)cc2Cl)c(F)c1.
What is the InChIKey of 4-[(4-bromo-2-chlorobenzoyl)amino]-3-fluorobenzoic acid?
The InChIKey is NTTYZLHKGGKYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClFNO3/c15-8-2-3-9(10(16)6-8)13(19)18-12-4-1-7(14(20)21)5-11(12)17/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 4-[(4-bromo-2-chlorobenzoyl)amino]-3-fluorobenzoic acid?
4-[(4-bromo-2-chlorobenzoyl)amino]-3-fluorobenzoic 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-[(4-bromo-2-chlorobenzoyl)amino]-3-fluorobenzoic acid is sourced from PubChem (CID 63190056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).