4-bromo-2-[(2,4-difluorobenzoyl)amino]benzoic acid

C14H8BrF2NO3 — CID 60917051

IUPAC4-bromo-2-[(2,4-difluorobenzoyl)amino]benzoic acid
SMILESO=C(Nc1cc(Br)ccc1C(=O)O)c1ccc(F)cc1F
InChIInChI=1S/C14H8BrF2NO3/c15-7-1-3-10(14(20)21)12(5-7)18-13(19)9-4-2-8(16)6-11(9)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyMWRWWNFSYKVAOF-UHFFFAOYSA-N
MW356.12 g/mol
LogP3.68
Rot. Bonds3

About 4-bromo-2-[(2,4-difluorobenzoyl)amino]benzoic acid

4-bromo-2-[(2,4-difluorobenzoyl)amino]benzoic acid (PubChem CID 60917051) has the molecular formula C14H8BrF2NO3 and a molecular weight of 356.12 g/mol. Its IUPAC name is 4-bromo-2-[(2,4-difluorobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-bromo-2-[(2,4-difluorobenzoyl)amino]benzoic acid
PubChem CID60917051
Molecular FormulaC14H8BrF2NO3
Molecular Weight356.12 g/mol
Exact Mass354.97
IUPAC Name4-bromo-2-[(2,4-difluorobenzoyl)amino]benzoic acid
SMILESO=C(Nc1cc(Br)ccc1C(=O)O)c1ccc(F)cc1F
InChIInChI=1S/C14H8BrF2NO3/c15-7-1-3-10(14(20)21)12(5-7)18-13(19)9-4-2-8(16)6-11(9)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyMWRWWNFSYKVAOF-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

4-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674764
N-(5-bromo-2-methoxyphenyl)-2,4-difluorobenzamide
CID 47317531
4-bromo-2-(2,4-difluoroanilino)benzoic acid
CID 139804641
2-[(4-bromobenzoyl)amino]-4-fluorobenzoic acid
CID 24709582
4-bromo-2-[(4-bromo-3-fluorobenzoyl)amino]benzoic acid
CID 63405102
2-[(2,4-difluorobenzoyl)amino]-4-phenylbenzoic acid
CID 67343264
4-bromo-2-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638178
N-(5-bromo-2-morpholin-4-ylphenyl)-2,4-difluorobenzamide
CID 51182017
5-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674832
2-[(2-bromo-3-fluorobenzoyl)amino]-4-fluorobenzoic acid
CID 81498319
4-bromo-2-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
CID 107729310
4-amino-2-[(5-bromo-2-fluorobenzoyl)amino]benzoic acid
CID 63116124

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2,4-difluorobenzoyl)amino]benzoic acid?
The IUPAC name of 4-bromo-2-[(2,4-difluorobenzoyl)amino]benzoic acid (CID 60917051) is 4-bromo-2-[(2,4-difluorobenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-bromo-2-[(2,4-difluorobenzoyl)amino]benzoic acid?
The canonical SMILES for 4-bromo-2-[(2,4-difluorobenzoyl)amino]benzoic acid is O=C(Nc1cc(Br)ccc1C(=O)O)c1ccc(F)cc1F.
What is the InChIKey of 4-bromo-2-[(2,4-difluorobenzoyl)amino]benzoic acid?
The InChIKey is MWRWWNFSYKVAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF2NO3/c15-7-1-3-10(14(20)21)12(5-7)18-13(19)9-4-2-8(16)6-11(9)17/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 4-bromo-2-[(2,4-difluorobenzoyl)amino]benzoic acid?
4-bromo-2-[(2,4-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 4-bromo-2-[(2,4-difluorobenzoyl)amino]benzoic acid is sourced from PubChem (CID 60917051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).