4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid

C14H8F3NO3 — CID 103791546

IUPAC4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H8F3NO3/c15-10-4-1-7(5-12(10)17)13(19)18-8-2-3-9(14(20)21)11(16)6-8/h1-6H,(H,18,19)(H,20,21)
InChIKeyTYPOXIQZSCNBEF-UHFFFAOYSA-N
MW295.22 g/mol
LogP3.05
Rot. Bonds3

About 4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid

4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid (PubChem CID 103791546) has the molecular formula C14H8F3NO3 and a molecular weight of 295.22 g/mol. Its IUPAC name is 4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid
PubChem CID103791546
Molecular FormulaC14H8F3NO3
Molecular Weight295.22 g/mol
Exact Mass295.05
IUPAC Name4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H8F3NO3/c15-10-4-1-7(5-12(10)17)13(19)18-8-2-3-9(14(20)21)11(16)6-8/h1-6H,(H,18,19)(H,20,21)
InChIKeyTYPOXIQZSCNBEF-UHFFFAOYSA-N
XLogP3.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-[(3,4-difluorobenzoyl)amino]benzoic acid
CID 60748188
2-fluoro-4-[(4-hydroxybenzoyl)amino]benzoic acid
CID 107792860
4-[(3-aminobenzoyl)amino]-2-fluorobenzoic acid
CID 103869169
4-[(5-chloro-2-fluorobenzoyl)amino]-2-fluorobenzoic acid
CID 103791493
2-fluoro-4-[(3-methoxybenzoyl)amino]benzoic acid
CID 103791449
2-fluoro-4-(hydroxyamino)benzoic acid
CID 142889242
2-fluoro-4-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid
CID 107792618
N-(3,4-difluorophenyl)naphthalene-2-carboxamide
CID 7771728
[3-[(3,4-difluorobenzoyl)amino]-4-fluorophenyl]carbamic acid
CID 137353706
3,4-difluoro-N-[4-(4-fluoroanilino)phenyl]benzamide
CID 112986865
3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide
CID 61090796
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid?
The IUPAC name of 4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid (CID 103791546) is 4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid.
What is the SMILES notation for 4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid?
The canonical SMILES for 4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid is O=C(Nc1ccc(C(=O)O)c(F)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid?
The InChIKey is TYPOXIQZSCNBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO3/c15-10-4-1-7(5-12(10)17)13(19)18-8-2-3-9(14(20)21)11(16)6-8/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid?
4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid has a molecular weight of 295.22 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid is sourced from PubChem (CID 103791546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).