3-[(2,5-difluorobenzoyl)amino]-4-fluorobenzoic acid

C14H8F3NO3 — CID 60748401

IUPAC3-[(2,5-difluorobenzoyl)amino]-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)c(NC(=O)c2cc(F)ccc2F)c1
InChIInChI=1S/C14H8F3NO3/c15-8-2-4-10(16)9(6-8)13(19)18-12-5-7(14(20)21)1-3-11(12)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyRPEGEIJJKBHFEF-UHFFFAOYSA-N
MW295.22 g/mol
LogP3.05
Rot. Bonds3

About 3-[(2,5-difluorobenzoyl)amino]-4-fluorobenzoic acid

3-[(2,5-difluorobenzoyl)amino]-4-fluorobenzoic acid (PubChem CID 60748401) has the molecular formula C14H8F3NO3 and a molecular weight of 295.22 g/mol. Its IUPAC name is 3-[(2,5-difluorobenzoyl)amino]-4-fluorobenzoic acid.

Molecular Properties

Compound Name3-[(2,5-difluorobenzoyl)amino]-4-fluorobenzoic acid
PubChem CID60748401
Molecular FormulaC14H8F3NO3
Molecular Weight295.22 g/mol
Exact Mass295.05
IUPAC Name3-[(2,5-difluorobenzoyl)amino]-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)c(NC(=O)c2cc(F)ccc2F)c1
InChIInChI=1S/C14H8F3NO3/c15-8-2-4-10(16)9(6-8)13(19)18-12-5-7(14(20)21)1-3-11(12)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyRPEGEIJJKBHFEF-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

3-[(2,5-difluoro-4-methylbenzoyl)amino]-4-fluorobenzoic acid
CID 75472219
6-[(2,5-difluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61317560
4-fluoro-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638170
3-[(2-fluoro-5-methylbenzoyl)amino]-4-methylbenzoic acid
CID 62514248
3-[(2-chloro-3-fluorobenzoyl)amino]-4-fluorobenzoic acid
CID 81453310
3-[(2-bromo-5-fluorobenzoyl)amino]-4-hydroxybenzoic acid
CID 107264755
4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
CID 63209943
4-fluoro-3-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81445363
4-chloro-N-(2,5-difluorophenyl)benzamide
CID 2969912
4-fluoro-3-(methanesulfonamido)benzoic acid
CID 47002814
N-(2,5-difluorophenyl)-2,3,4-trifluorobenzamide
CID 28560277
N-(2,5-difluorophenyl)-4-phenylbenzamide
CID 7958887

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorobenzoyl)amino]-4-fluorobenzoic acid?
The IUPAC name of 3-[(2,5-difluorobenzoyl)amino]-4-fluorobenzoic acid (CID 60748401) is 3-[(2,5-difluorobenzoyl)amino]-4-fluorobenzoic acid.
What is the SMILES notation for 3-[(2,5-difluorobenzoyl)amino]-4-fluorobenzoic acid?
The canonical SMILES for 3-[(2,5-difluorobenzoyl)amino]-4-fluorobenzoic acid is O=C(O)c1ccc(F)c(NC(=O)c2cc(F)ccc2F)c1.
What is the InChIKey of 3-[(2,5-difluorobenzoyl)amino]-4-fluorobenzoic acid?
The InChIKey is RPEGEIJJKBHFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO3/c15-8-2-4-10(16)9(6-8)13(19)18-12-5-7(14(20)21)1-3-11(12)17/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 3-[(2,5-difluorobenzoyl)amino]-4-fluorobenzoic acid?
3-[(2,5-difluorobenzoyl)amino]-4-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 3-[(2,5-difluorobenzoyl)amino]-4-fluorobenzoic acid is sourced from PubChem (CID 60748401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).