2-[(3-bromo-5-fluorobenzoyl)amino]-3-chlorobenzoic acid

C14H8BrClFNO3 — CID 107047530

IUPAC2-[(3-bromo-5-fluorobenzoyl)amino]-3-chlorobenzoic acid
SMILESO=C(Nc1c(Cl)cccc1C(=O)O)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H8BrClFNO3/c15-8-4-7(5-9(17)6-8)13(19)18-12-10(14(20)21)2-1-3-11(12)16/h1-6H,(H,18,19)(H,20,21)
InChIKeySRHIFSQYFLARIP-UHFFFAOYSA-N
MW372.58 g/mol
LogP4.19
Rot. Bonds3

About 2-[(3-bromo-5-fluorobenzoyl)amino]-3-chlorobenzoic acid

2-[(3-bromo-5-fluorobenzoyl)amino]-3-chlorobenzoic acid (PubChem CID 107047530) has the molecular formula C14H8BrClFNO3 and a molecular weight of 372.58 g/mol. Its IUPAC name is 2-[(3-bromo-5-fluorobenzoyl)amino]-3-chlorobenzoic acid.

Molecular Properties

Compound Name2-[(3-bromo-5-fluorobenzoyl)amino]-3-chlorobenzoic acid
PubChem CID107047530
Molecular FormulaC14H8BrClFNO3
Molecular Weight372.58 g/mol
Exact Mass370.94
IUPAC Name2-[(3-bromo-5-fluorobenzoyl)amino]-3-chlorobenzoic acid
SMILESO=C(Nc1c(Cl)cccc1C(=O)O)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H8BrClFNO3/c15-8-4-7(5-9(17)6-8)13(19)18-12-10(14(20)21)2-1-3-11(12)16/h1-6H,(H,18,19)(H,20,21)
InChIKeySRHIFSQYFLARIP-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-[(3-bromo-5-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 43248205
3-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid
CID 63112961
3-[(3-bromo-5-fluorobenzoyl)amino]-2-hydroxybenzoic acid
CID 104832762
2-[(5-bromo-2-chlorobenzoyl)amino]-3-chlorobenzoic acid
CID 107046721
2-[(2-bromo-3-fluorobenzoyl)amino]-3-chlorobenzoic acid
CID 107046859
3-chloro-2-[(2,4-dibromobenzoyl)amino]benzoic acid
CID 107938398
3-chloro-2-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 107046351
3-chloro-2-[(3-chloro-4-hydroxybenzoyl)amino]benzoic acid
CID 107047518
N-(2-amino-6-fluorophenyl)-3-bromo-5-fluorobenzamide
CID 81313883
3-bromo-N-(3-chloro-2-methoxyphenyl)-5-fluorobenzamide
CID 47382946
6-[(3-bromo-5-fluorobenzoyl)amino]pyridine-2-carboxylic acid
CID 63642371
3-chloro-2-[(2,5-dichlorobenzoyl)amino]benzoic acid
CID 107047080

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-fluorobenzoyl)amino]-3-chlorobenzoic acid?
The IUPAC name of 2-[(3-bromo-5-fluorobenzoyl)amino]-3-chlorobenzoic acid (CID 107047530) is 2-[(3-bromo-5-fluorobenzoyl)amino]-3-chlorobenzoic acid.
What is the SMILES notation for 2-[(3-bromo-5-fluorobenzoyl)amino]-3-chlorobenzoic acid?
The canonical SMILES for 2-[(3-bromo-5-fluorobenzoyl)amino]-3-chlorobenzoic acid is O=C(Nc1c(Cl)cccc1C(=O)O)c1cc(F)cc(Br)c1.
What is the InChIKey of 2-[(3-bromo-5-fluorobenzoyl)amino]-3-chlorobenzoic acid?
The InChIKey is SRHIFSQYFLARIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClFNO3/c15-8-4-7(5-9(17)6-8)13(19)18-12-10(14(20)21)2-1-3-11(12)16/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 2-[(3-bromo-5-fluorobenzoyl)amino]-3-chlorobenzoic acid?
2-[(3-bromo-5-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 2-[(3-bromo-5-fluorobenzoyl)amino]-3-chlorobenzoic acid is sourced from PubChem (CID 107047530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).