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

C14H8BrClFNO3 — CID 107997720

IUPAC2-[(3-bromo-4-chlorobenzoyl)amino]-4-fluorobenzoic acid
SMILESO=C(Nc1cc(F)ccc1C(=O)O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H8BrClFNO3/c15-10-5-7(1-4-11(10)16)13(19)18-12-6-8(17)2-3-9(12)14(20)21/h1-6H,(H,18,19)(H,20,21)
InChIKeyAVBSVYMGDBCHRN-UHFFFAOYSA-N
MW372.58 g/mol
LogP4.19
Rot. Bonds3

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

2-[(3-bromo-4-chlorobenzoyl)amino]-4-fluorobenzoic acid (PubChem CID 107997720) has the molecular formula C14H8BrClFNO3 and a molecular weight of 372.58 g/mol. Its IUPAC name is 2-[(3-bromo-4-chlorobenzoyl)amino]-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(3-bromo-4-chlorobenzoyl)amino]-4-fluorobenzoic acid
PubChem CID107997720
Molecular FormulaC14H8BrClFNO3
Molecular Weight372.58 g/mol
Exact Mass370.94
IUPAC Name2-[(3-bromo-4-chlorobenzoyl)amino]-4-fluorobenzoic acid
SMILESO=C(Nc1cc(F)ccc1C(=O)O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H8BrClFNO3/c15-10-5-7(1-4-11(10)16)13(19)18-12-6-8(17)2-3-9(12)14(20)21/h1-6H,(H,18,19)(H,20,21)
InChIKeyAVBSVYMGDBCHRN-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

2-[(4-bromobenzoyl)amino]-4-fluorobenzoic acid
CID 24709582
4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 16789233
5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid
CID 107997828
2-[(3-bromo-4-chlorobenzoyl)amino]-6-fluorobenzoic acid
CID 107997743
2-[(3,4-dichlorobenzoyl)amino]-5-fluorobenzoic acid
CID 28545385
3-[(3-bromo-4-chlorobenzoyl)amino]-2-hydroxybenzoic acid
CID 107998093
N-(2-bromo-5-fluorophenyl)-4-chloro-3-methylbenzamide
CID 113256553
3-bromo-4-chloro-N-(3,5-difluorophenyl)benzamide
CID 114025876
N-(2-bromo-5-fluorophenyl)-3-chloro-4-fluorobenzamide
CID 113264517
3-bromo-4-chloro-N-(3-fluorophenyl)benzamide
CID 107999213
2-[(3-amino-4-methylbenzoyl)amino]-4-fluorobenzoic acid
CID 61158484
2-[(3-amino-4-chlorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157769

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-chlorobenzoyl)amino]-4-fluorobenzoic acid?
The IUPAC name of 2-[(3-bromo-4-chlorobenzoyl)amino]-4-fluorobenzoic acid (CID 107997720) is 2-[(3-bromo-4-chlorobenzoyl)amino]-4-fluorobenzoic acid.
What is the SMILES notation for 2-[(3-bromo-4-chlorobenzoyl)amino]-4-fluorobenzoic acid?
The canonical SMILES for 2-[(3-bromo-4-chlorobenzoyl)amino]-4-fluorobenzoic acid is O=C(Nc1cc(F)ccc1C(=O)O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-4-chlorobenzoyl)amino]-4-fluorobenzoic acid?
The InChIKey is AVBSVYMGDBCHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClFNO3/c15-10-5-7(1-4-11(10)16)13(19)18-12-6-8(17)2-3-9(12)14(20)21/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 2-[(3-bromo-4-chlorobenzoyl)amino]-4-fluorobenzoic acid?
2-[(3-bromo-4-chlorobenzoyl)amino]-4-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 2-[(3-bromo-4-chlorobenzoyl)amino]-4-fluorobenzoic acid is sourced from PubChem (CID 107997720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).