5-acetyl-N-(3,4-difluorophenyl)-2-fluorobenzamide

C15H10F3NO2 — CID 118684023

IUPAC5-acetyl-N-(3,4-difluorophenyl)-2-fluorobenzamide
SMILESCC(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H10F3NO2/c1-8(20)9-2-4-12(16)11(6-9)15(21)19-10-3-5-13(17)14(18)7-10/h2-7H,1H3,(H,19,21)
InChIKeyXUBSVPXVUFFZAO-UHFFFAOYSA-N
MW293.24 g/mol
LogP3.56
Rot. Bonds3

About 5-acetyl-N-(3,4-difluorophenyl)-2-fluorobenzamide

5-acetyl-N-(3,4-difluorophenyl)-2-fluorobenzamide (PubChem CID 118684023) has the molecular formula C15H10F3NO2 and a molecular weight of 293.24 g/mol. Its IUPAC name is 5-acetyl-N-(3,4-difluorophenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-acetyl-N-(3,4-difluorophenyl)-2-fluorobenzamide
PubChem CID118684023
Molecular FormulaC15H10F3NO2
Molecular Weight293.24 g/mol
Exact Mass293.07
IUPAC Name5-acetyl-N-(3,4-difluorophenyl)-2-fluorobenzamide
SMILESCC(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H10F3NO2/c1-8(20)9-2-4-12(16)11(6-9)15(21)19-10-3-5-13(17)14(18)7-10/h2-7H,1H3,(H,19,21)
InChIKeyXUBSVPXVUFFZAO-UHFFFAOYSA-N
XLogP3.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(3,4-difluorophenyl)-4-fluoro-1-N-(1-methylcyclobutyl)benzene-1,3-dicarboxamide
CID 76900732
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CID 1265569
2-N-(3-acetylphenyl)-6-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101017
N-(3,4-difluorophenyl)-2,3-difluorobenzamide
CID 62648495
4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid
CID 103791546
1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043255
4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 48846340
N-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide
CID 9165699
N-[4-(3-acetylanilino)phenyl]-3,4-difluorobenzamide
CID 112988151
2-fluoro-N-(3-fluoro-4-hydroxyphenyl)-5-methylbenzamide
CID 64780308
2,5-difluoro-N-[4-(methylcarbamoyl)phenyl]benzamide
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2-(4-acetylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109318223

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(3,4-difluorophenyl)-2-fluorobenzamide?
The IUPAC name of 5-acetyl-N-(3,4-difluorophenyl)-2-fluorobenzamide (CID 118684023) is 5-acetyl-N-(3,4-difluorophenyl)-2-fluorobenzamide.
What is the SMILES notation for 5-acetyl-N-(3,4-difluorophenyl)-2-fluorobenzamide?
The canonical SMILES for 5-acetyl-N-(3,4-difluorophenyl)-2-fluorobenzamide is CC(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of 5-acetyl-N-(3,4-difluorophenyl)-2-fluorobenzamide?
The InChIKey is XUBSVPXVUFFZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO2/c1-8(20)9-2-4-12(16)11(6-9)15(21)19-10-3-5-13(17)14(18)7-10/h2-7H,1H3,(H,19,21).
What are the key properties of 5-acetyl-N-(3,4-difluorophenyl)-2-fluorobenzamide?
5-acetyl-N-(3,4-difluorophenyl)-2-fluorobenzamide has a molecular weight of 293.24 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(3,4-difluorophenyl)-2-fluorobenzamide is sourced from PubChem (CID 118684023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).