5-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid

C14H8BrF2NO3 — CID 45434249

IUPAC5-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(Br)cc1C(=O)O)c1cc(F)cc(F)c1
InChIInChI=1S/C14H8BrF2NO3/c15-8-1-2-12(11(5-8)14(20)21)18-13(19)7-3-9(16)6-10(17)4-7/h1-6H,(H,18,19)(H,20,21)
InChIKeyHCVWFHJUYZELCE-UHFFFAOYSA-N
MW356.12 g/mol
LogP3.68
Rot. Bonds3

About 5-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid

5-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid (PubChem CID 45434249) has the molecular formula C14H8BrF2NO3 and a molecular weight of 356.12 g/mol. Its IUPAC name is 5-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid
PubChem CID45434249
Molecular FormulaC14H8BrF2NO3
Molecular Weight356.12 g/mol
Exact Mass354.97
IUPAC Name5-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(Br)cc1C(=O)O)c1cc(F)cc(F)c1
InChIInChI=1S/C14H8BrF2NO3/c15-8-1-2-12(11(5-8)14(20)21)18-13(19)7-3-9(16)6-10(17)4-7/h1-6H,(H,18,19)(H,20,21)
InChIKeyHCVWFHJUYZELCE-UHFFFAOYSA-N
XLogP3.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.12
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702530
2-[(4-acetamidobenzoyl)amino]-5-bromobenzoic acid
CID 5181471
5-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674832
5-bromo-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
CID 45434078
5-bromo-2-[(4-cyanobenzoyl)amino]benzoic acid
CID 45434103
5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid
CID 107997828
5-bromo-2-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid
CID 62048306
5-bromo-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 45340154
5-bromo-2-(carbamoylamino)benzoic acid
CID 54593537
5-bromo-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 62050351
3-[(3-bromo-5-fluorobenzoyl)amino]-2-hydroxybenzoic acid
CID 104832762
N-(3-bromophenyl)-3,5-difluorobenzamide
CID 3660841

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid?
The IUPAC name of 5-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid (CID 45434249) is 5-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid?
The canonical SMILES for 5-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid is O=C(Nc1ccc(Br)cc1C(=O)O)c1cc(F)cc(F)c1.
What is the InChIKey of 5-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid?
The InChIKey is HCVWFHJUYZELCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF2NO3/c15-8-1-2-12(11(5-8)14(20)21)18-13(19)7-3-9(16)6-10(17)4-7/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 5-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid?
5-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid has a molecular weight of 356.12 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid is sourced from PubChem (CID 45434249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).