4-bromo-2-[(2-chloro-6-fluorobenzoyl)amino]benzoic acid

C14H8BrClFNO3 — CID 60916637

IUPAC4-bromo-2-[(2-chloro-6-fluorobenzoyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Br)cc1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C14H8BrClFNO3/c15-7-4-5-8(14(20)21)11(6-7)18-13(19)12-9(16)2-1-3-10(12)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyIZMQACIWHLKXKI-UHFFFAOYSA-N
MW372.58 g/mol
LogP4.19
Rot. Bonds3

About 4-bromo-2-[(2-chloro-6-fluorobenzoyl)amino]benzoic acid

4-bromo-2-[(2-chloro-6-fluorobenzoyl)amino]benzoic acid (PubChem CID 60916637) has the molecular formula C14H8BrClFNO3 and a molecular weight of 372.58 g/mol. Its IUPAC name is 4-bromo-2-[(2-chloro-6-fluorobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-bromo-2-[(2-chloro-6-fluorobenzoyl)amino]benzoic acid
PubChem CID60916637
Molecular FormulaC14H8BrClFNO3
Molecular Weight372.58 g/mol
Exact Mass370.94
IUPAC Name4-bromo-2-[(2-chloro-6-fluorobenzoyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Br)cc1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C14H8BrClFNO3/c15-7-4-5-8(14(20)21)11(6-7)18-13(19)12-9(16)2-1-3-10(12)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyIZMQACIWHLKXKI-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

N-(5-bromo-2-methoxyphenyl)-2-chloro-6-fluorobenzamide
CID 47317659
N-(4-bromo-2-fluorophenyl)-2,6-dichlorobenzamide
CID 1279612
N-(4-bromo-2-cyanophenyl)-2-chloro-6-fluorobenzamide
CID 82707621
2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid
CID 43805401
4-bromo-2-[(2,4-difluorobenzoyl)amino]benzoic acid
CID 60917051
4-bromo-2-[(2-chloro-4-methylbenzoyl)amino]benzoic acid
CID 106860507
4-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674764
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloro-6-fluorobenzamide
CID 103274912
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-6-fluorobenzamide
CID 104724195
4-bromo-2-[(4-bromo-3-fluorobenzoyl)amino]benzoic acid
CID 63405102
4-bromo-2-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638178
5-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoic acid
CID 10427632

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2-chloro-6-fluorobenzoyl)amino]benzoic acid?
The IUPAC name of 4-bromo-2-[(2-chloro-6-fluorobenzoyl)amino]benzoic acid (CID 60916637) is 4-bromo-2-[(2-chloro-6-fluorobenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-bromo-2-[(2-chloro-6-fluorobenzoyl)amino]benzoic acid?
The canonical SMILES for 4-bromo-2-[(2-chloro-6-fluorobenzoyl)amino]benzoic acid is O=C(O)c1ccc(Br)cc1NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 4-bromo-2-[(2-chloro-6-fluorobenzoyl)amino]benzoic acid?
The InChIKey is IZMQACIWHLKXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClFNO3/c15-7-4-5-8(14(20)21)11(6-7)18-13(19)12-9(16)2-1-3-10(12)17/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 4-bromo-2-[(2-chloro-6-fluorobenzoyl)amino]benzoic acid?
4-bromo-2-[(2-chloro-6-fluorobenzoyl)amino]benzoic 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-bromo-2-[(2-chloro-6-fluorobenzoyl)amino]benzoic acid is sourced from PubChem (CID 60916637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).