2-[(2-bromo-5-fluorobenzoyl)amino]benzoic acid

C14H9BrFNO3 — CID 16773060

IUPAC2-[(2-bromo-5-fluorobenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cc(F)ccc1Br
InChIInChI=1S/C14H9BrFNO3/c15-11-6-5-8(16)7-10(11)13(18)17-12-4-2-1-3-9(12)14(19)20/h1-7H,(H,17,18)(H,19,20)
InChIKeyKYUQWRBQKQNVHV-UHFFFAOYSA-N
MW338.13 g/mol
LogP3.54
Rot. Bonds3

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

2-[(2-bromo-5-fluorobenzoyl)amino]benzoic acid (PubChem CID 16773060) has the molecular formula C14H9BrFNO3 and a molecular weight of 338.13 g/mol. Its IUPAC name is 2-[(2-bromo-5-fluorobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(2-bromo-5-fluorobenzoyl)amino]benzoic acid
PubChem CID16773060
Molecular FormulaC14H9BrFNO3
Molecular Weight338.13 g/mol
Exact Mass336.97
IUPAC Name2-[(2-bromo-5-fluorobenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cc(F)ccc1Br
InChIInChI=1S/C14H9BrFNO3/c15-11-6-5-8(16)7-10(11)13(18)17-12-4-2-1-3-9(12)14(19)20/h1-7H,(H,17,18)(H,19,20)
InChIKeyKYUQWRBQKQNVHV-UHFFFAOYSA-N
XLogP3.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.13
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 34731927
2-bromo-5-fluoro-N-(2-nitrophenyl)benzamide
CID 60667245
2-bromo-N-(2,3-dimethylphenyl)-5-fluorobenzamide
CID 24695663
3-[(2-bromo-5-fluorobenzoyl)amino]-4-hydroxybenzoic acid
CID 107264755
2-bromo-N-(2-carbamothioyl-4-fluorophenyl)benzamide
CID 82015339
2-[(2-bromo-3-fluorobenzoyl)amino]-4-fluorobenzoic acid
CID 81498319
2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157616
2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
CID 982173
2-bromo-N-(5-fluoro-2-methylphenyl)benzamide
CID 2683675
5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 115298431
2-bromo-5-fluoro-N-(2,4,6-triiodophenyl)benzamide
CID 63524397
2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide
CID 60667247

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-fluorobenzoyl)amino]benzoic acid?
The IUPAC name of 2-[(2-bromo-5-fluorobenzoyl)amino]benzoic acid (CID 16773060) is 2-[(2-bromo-5-fluorobenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-[(2-bromo-5-fluorobenzoyl)amino]benzoic acid?
The canonical SMILES for 2-[(2-bromo-5-fluorobenzoyl)amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1cc(F)ccc1Br.
What is the InChIKey of 2-[(2-bromo-5-fluorobenzoyl)amino]benzoic acid?
The InChIKey is KYUQWRBQKQNVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFNO3/c15-11-6-5-8(16)7-10(11)13(18)17-12-4-2-1-3-9(12)14(19)20/h1-7H,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-bromo-5-fluorobenzoyl)amino]benzoic acid?
2-[(2-bromo-5-fluorobenzoyl)amino]benzoic acid has a molecular weight of 338.13 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-fluorobenzoyl)amino]benzoic acid is sourced from PubChem (CID 16773060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).