4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide

C11H9F4NO2 — CID 64996833

IUPAC4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
SMILESCC(=O)CNC(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H9F4NO2/c1-6(17)5-16-10(18)7-2-3-9(12)8(4-7)11(13,14)15/h2-4H,5H2,1H3,(H,16,18)
InChIKeyXRLIRPXEFHSXFP-UHFFFAOYSA-N
MW263.19 g/mol
LogP2.16
Rot. Bonds3

About 4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide

4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide (PubChem CID 64996833) has the molecular formula C11H9F4NO2 and a molecular weight of 263.19 g/mol. Its IUPAC name is 4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
PubChem CID64996833
Molecular FormulaC11H9F4NO2
Molecular Weight263.19 g/mol
Exact Mass263.06
IUPAC Name4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
SMILESCC(=O)CNC(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H9F4NO2/c1-6(17)5-16-10(18)7-2-3-9(12)8(4-7)11(13,14)15/h2-4H,5H2,1H3,(H,16,18)
InChIKeyXRLIRPXEFHSXFP-UHFFFAOYSA-N
XLogP2.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.19
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[[4-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]benzoyl]amino]acetate
CID 60596590
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4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
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4-bromo-3-fluoro-N-(2-oxopropyl)benzamide
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4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(trifluoromethyl)benzamide
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CID 66165014
4-fluoro-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)benzamide
CID 103737493
4-fluoro-N-(4-hydroxypentyl)-3-(trifluoromethyl)benzamide
CID 107300108
4-fluoro-N-(2-hydroxy-4-methylpentyl)-3-(trifluoromethyl)benzamide
CID 103771258
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 84698309
4-fluoro-N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)benzamide
CID 103721975
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CID 107290933

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide (CID 64996833) is 4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide is CC(=O)CNC(=O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide?
The InChIKey is XRLIRPXEFHSXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4NO2/c1-6(17)5-16-10(18)7-2-3-9(12)8(4-7)11(13,14)15/h2-4H,5H2,1H3,(H,16,18).
What are the key properties of 4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide?
4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide has a molecular weight of 263.19 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 64996833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).