4-[(5-chloro-2-fluorobenzoyl)amino]-2-fluorobenzoic acid

C14H8ClF2NO3 — CID 103791493

IUPAC4-[(5-chloro-2-fluorobenzoyl)amino]-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cc(Cl)ccc2F)cc1F
InChIInChI=1S/C14H8ClF2NO3/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)
InChIKeyZTDXSJOLUQRKJV-UHFFFAOYSA-N
MW311.67 g/mol
LogP3.57
Rot. Bonds3

About 4-[(5-chloro-2-fluorobenzoyl)amino]-2-fluorobenzoic acid

4-[(5-chloro-2-fluorobenzoyl)amino]-2-fluorobenzoic acid (PubChem CID 103791493) has the molecular formula C14H8ClF2NO3 and a molecular weight of 311.67 g/mol. Its IUPAC name is 4-[(5-chloro-2-fluorobenzoyl)amino]-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-[(5-chloro-2-fluorobenzoyl)amino]-2-fluorobenzoic acid
PubChem CID103791493
Molecular FormulaC14H8ClF2NO3
Molecular Weight311.67 g/mol
Exact Mass311.02
IUPAC Name4-[(5-chloro-2-fluorobenzoyl)amino]-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cc(Cl)ccc2F)cc1F
InChIInChI=1S/C14H8ClF2NO3/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)
InChIKeyZTDXSJOLUQRKJV-UHFFFAOYSA-N
XLogP3.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.67
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid
CID 107793077
4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid
CID 103791546
N-(4-bromo-3-chlorophenyl)-5-chloro-2-fluorobenzamide
CID 107619744
5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 82877012
2-fluoro-4-(hydroxyamino)benzoic acid
CID 142889242
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
4-chloro-2-fluoro-N-(4-fluorophenyl)benzamide
CID 26687726
2-fluoro-4-[(4-hydroxybenzoyl)amino]benzoic acid
CID 107792860
5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide
CID 25487071
4-[(2,5-dibromobenzoyl)amino]-2-fluorobenzoic acid
CID 107793046
4-[(5-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 82877635
4-[(4-amino-2-fluorobenzoyl)amino]-2-chlorobenzoic acid
CID 103869409

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-fluorobenzoyl)amino]-2-fluorobenzoic acid?
The IUPAC name of 4-[(5-chloro-2-fluorobenzoyl)amino]-2-fluorobenzoic acid (CID 103791493) is 4-[(5-chloro-2-fluorobenzoyl)amino]-2-fluorobenzoic acid.
What is the SMILES notation for 4-[(5-chloro-2-fluorobenzoyl)amino]-2-fluorobenzoic acid?
The canonical SMILES for 4-[(5-chloro-2-fluorobenzoyl)amino]-2-fluorobenzoic acid is O=C(O)c1ccc(NC(=O)c2cc(Cl)ccc2F)cc1F.
What is the InChIKey of 4-[(5-chloro-2-fluorobenzoyl)amino]-2-fluorobenzoic acid?
The InChIKey is ZTDXSJOLUQRKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2NO3/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-[(5-chloro-2-fluorobenzoyl)amino]-2-fluorobenzoic acid?
4-[(5-chloro-2-fluorobenzoyl)amino]-2-fluorobenzoic acid has a molecular weight of 311.67 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-fluorobenzoyl)amino]-2-fluorobenzoic acid is sourced from PubChem (CID 103791493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).