4-[(2,5-dibromobenzoyl)amino]-2-fluorobenzoic acid

C14H8Br2FNO3 — CID 107793046

IUPAC4-[(2,5-dibromobenzoyl)amino]-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cc(Br)ccc2Br)cc1F
InChIInChI=1S/C14H8Br2FNO3/c15-7-1-4-11(16)10(5-7)13(19)18-8-2-3-9(14(20)21)12(17)6-8/h1-6H,(H,18,19)(H,20,21)
InChIKeyJJJSHWDILIDHQF-UHFFFAOYSA-N
MW417.03 g/mol
LogP4.30
Rot. Bonds3

About 4-[(2,5-dibromobenzoyl)amino]-2-fluorobenzoic acid

4-[(2,5-dibromobenzoyl)amino]-2-fluorobenzoic acid (PubChem CID 107793046) has the molecular formula C14H8Br2FNO3 and a molecular weight of 417.03 g/mol. Its IUPAC name is 4-[(2,5-dibromobenzoyl)amino]-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-[(2,5-dibromobenzoyl)amino]-2-fluorobenzoic acid
PubChem CID107793046
Molecular FormulaC14H8Br2FNO3
Molecular Weight417.03 g/mol
Exact Mass414.89
IUPAC Name4-[(2,5-dibromobenzoyl)amino]-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cc(Br)ccc2Br)cc1F
InChIInChI=1S/C14H8Br2FNO3/c15-7-1-4-11(16)10(5-7)13(19)18-8-2-3-9(14(20)21)12(17)6-8/h1-6H,(H,18,19)(H,20,21)
InChIKeyJJJSHWDILIDHQF-UHFFFAOYSA-N
XLogP4.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.03
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-(3-fluoro-4-methylphenyl)benzamide
CID 114369991
5-bromo-N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65438137
4-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367797
4-[(4-bromo-2-fluorobenzoyl)amino]benzoic acid
CID 24703063
5-[(5-bromo-2-fluorobenzoyl)amino]-2-methylbenzoic acid
CID 63653499
N-(4-amino-3-bromophenyl)-2,5-dibromobenzamide
CID 114367768
4-[(5-chloro-2-fluorobenzoyl)amino]-2-fluorobenzoic acid
CID 103791493
5-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674832
2,5-dibromo-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 107642067
5-bromo-N-(3,4-difluorophenyl)-2-iodobenzamide
CID 34845392
2,5-dibromo-N-(3-methylphenyl)benzamide
CID 1019389
2-fluoro-4-[(4-hydroxybenzoyl)amino]benzoic acid
CID 107792860

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dibromobenzoyl)amino]-2-fluorobenzoic acid?
The IUPAC name of 4-[(2,5-dibromobenzoyl)amino]-2-fluorobenzoic acid (CID 107793046) is 4-[(2,5-dibromobenzoyl)amino]-2-fluorobenzoic acid.
What is the SMILES notation for 4-[(2,5-dibromobenzoyl)amino]-2-fluorobenzoic acid?
The canonical SMILES for 4-[(2,5-dibromobenzoyl)amino]-2-fluorobenzoic acid is O=C(O)c1ccc(NC(=O)c2cc(Br)ccc2Br)cc1F.
What is the InChIKey of 4-[(2,5-dibromobenzoyl)amino]-2-fluorobenzoic acid?
The InChIKey is JJJSHWDILIDHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2FNO3/c15-7-1-4-11(16)10(5-7)13(19)18-8-2-3-9(14(20)21)12(17)6-8/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 4-[(2,5-dibromobenzoyl)amino]-2-fluorobenzoic acid?
4-[(2,5-dibromobenzoyl)amino]-2-fluorobenzoic acid has a molecular weight of 417.03 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dibromobenzoyl)amino]-2-fluorobenzoic acid is sourced from PubChem (CID 107793046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).