3-fluoro-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid

C15H11F2NO3 — CID 81497920

IUPAC3-fluoro-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid
SMILESO=C(Cc1ccc(F)cc1)Nc1c(F)cccc1C(=O)O
InChIInChI=1S/C15H11F2NO3/c16-10-6-4-9(5-7-10)8-13(19)18-14-11(15(20)21)2-1-3-12(14)17/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyHIKAJTSPIVGRAQ-UHFFFAOYSA-N
MW291.25 g/mol
LogP2.84
Rot. Bonds4

About 3-fluoro-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid

3-fluoro-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid (PubChem CID 81497920) has the molecular formula C15H11F2NO3 and a molecular weight of 291.25 g/mol. Its IUPAC name is 3-fluoro-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid
PubChem CID81497920
Molecular FormulaC15H11F2NO3
Molecular Weight291.25 g/mol
Exact Mass291.07
IUPAC Name3-fluoro-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid
SMILESO=C(Cc1ccc(F)cc1)Nc1c(F)cccc1C(=O)O
InChIInChI=1S/C15H11F2NO3/c16-10-6-4-9(5-7-10)8-13(19)18-14-11(15(20)21)2-1-3-12(14)17/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyHIKAJTSPIVGRAQ-UHFFFAOYSA-N
XLogP2.84
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[[2-(4-methylphenyl)acetyl]amino]benzoic acid
CID 43235606
3-bromo-2-[(2-phenylacetyl)amino]benzoic acid
CID 63112938
3-bromo-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid
CID 63112944
2-[(2-cycloheptylacetyl)amino]-3-fluorobenzoic acid
CID 114457210
3-fluoro-2-[(2-propoxyacetyl)amino]benzoic acid
CID 114018238
2-(chloroamino)-3-fluorobenzoic acid
CID 139823776
3-fluoro-2-(hydroxyamino)benzoic acid
CID 82863522
2-(4-cyanophenyl)-N-(2,6-difluorophenyl)acetamide
CID 62403831
2-[(2,6-dihydroxybenzoyl)amino]-3-fluorobenzoic acid
CID 107688173
3-fluoro-2-hydrazinylbenzoic acid
CID 82007573
3-fluoro-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
CID 81495087
N-(2-chloro-6-fluorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107036138

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid?
The IUPAC name of 3-fluoro-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid (CID 81497920) is 3-fluoro-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 3-fluoro-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid?
The canonical SMILES for 3-fluoro-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid is O=C(Cc1ccc(F)cc1)Nc1c(F)cccc1C(=O)O.
What is the InChIKey of 3-fluoro-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid?
The InChIKey is HIKAJTSPIVGRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO3/c16-10-6-4-9(5-7-10)8-13(19)18-14-11(15(20)21)2-1-3-12(14)17/h1-7H,8H2,(H,18,19)(H,20,21).
What are the key properties of 3-fluoro-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid?
3-fluoro-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid has a molecular weight of 291.25 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 81497920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).