N-(2-oxopropyl)-2-(trifluoromethyl)benzamide

C11H10F3NO2 — CID 64997392

IUPACN-(2-oxopropyl)-2-(trifluoromethyl)benzamide
SMILESCC(=O)CNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H10F3NO2/c1-7(16)6-15-10(17)8-4-2-3-5-9(8)11(12,13)14/h2-5H,6H2,1H3,(H,15,17)
InChIKeyXJZHGQCCFSFMGU-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.02
Rot. Bonds3

About N-(2-oxopropyl)-2-(trifluoromethyl)benzamide

N-(2-oxopropyl)-2-(trifluoromethyl)benzamide (PubChem CID 64997392) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is N-(2-oxopropyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-oxopropyl)-2-(trifluoromethyl)benzamide
PubChem CID64997392
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC NameN-(2-oxopropyl)-2-(trifluoromethyl)benzamide
SMILESCC(=O)CNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H10F3NO2/c1-7(16)6-15-10(17)8-4-2-3-5-9(8)11(12,13)14/h2-5H,6H2,1H3,(H,15,17)
InChIKeyXJZHGQCCFSFMGU-UHFFFAOYSA-N
XLogP2.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-iminopropyl)-2-(trifluoromethyl)benzamide
CID 145390070
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide
CID 108808081
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 108542412
N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide
CID 109468293
heptyl 2-[[2-(trifluoromethyl)benzoyl]amino]acetate
CID 6424754
2-ethyl-N-(2-oxopropyl)benzamide
CID 22084530
N-(3-amino-3-sulfanylidenepropyl)-2-(trifluoromethyl)benzamide
CID 62665548
N-(4-aminobutyl)-2-(trifluoromethyl)benzamide
CID 60894679
N-(2,3-dihydroxypropyl)-2-(trifluoromethyl)benzamide
CID 66175998

Frequently Asked Questions

What is the IUPAC name of N-(2-oxopropyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-oxopropyl)-2-(trifluoromethyl)benzamide (CID 64997392) is N-(2-oxopropyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-oxopropyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-oxopropyl)-2-(trifluoromethyl)benzamide is CC(=O)CNC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-oxopropyl)-2-(trifluoromethyl)benzamide?
The InChIKey is XJZHGQCCFSFMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c1-7(16)6-15-10(17)8-4-2-3-5-9(8)11(12,13)14/h2-5H,6H2,1H3,(H,15,17).
What are the key properties of N-(2-oxopropyl)-2-(trifluoromethyl)benzamide?
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide has a molecular weight of 245.20 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopropyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 64997392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).