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

C11H10F3NO2 — CID 64997394

IUPACN-(2-oxopropyl)-3-(trifluoromethyl)benzamide
SMILESCC(=O)CNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3NO2/c1-7(16)6-15-10(17)8-3-2-4-9(5-8)11(12,13)14/h2-5H,6H2,1H3,(H,15,17)
InChIKeyHQMVWWDJIACIGK-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.02
Rot. Bonds3

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

N-(2-oxopropyl)-3-(trifluoromethyl)benzamide (PubChem CID 64997394) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is N-(2-oxopropyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-oxopropyl)-3-(trifluoromethyl)benzamide
PubChem CID64997394
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC NameN-(2-oxopropyl)-3-(trifluoromethyl)benzamide
SMILESCC(=O)CNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3NO2/c1-7(16)6-15-10(17)8-3-2-4-9(5-8)11(12,13)14/h2-5H,6H2,1H3,(H,15,17)
InChIKeyHQMVWWDJIACIGK-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-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
N-(2-bromoethyl)-3-(trifluoromethyl)benzamide
CID 3500236
N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide
CID 91445268
N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 95368012
N-[2-[(1-amino-1-oxobutan-2-yl)amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 91393192
2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 66171794
N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine
CID 142510750
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 42765964
[[3-(trifluoromethyl)benzoyl]amino] acetate
CID 87589767
N-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 8912081
N-[2-(azetidin-3-ylamino)-2-oxoethyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 66750350

Frequently Asked Questions

What is the IUPAC name of N-(2-oxopropyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-oxopropyl)-3-(trifluoromethyl)benzamide (CID 64997394) is N-(2-oxopropyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-oxopropyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-oxopropyl)-3-(trifluoromethyl)benzamide is CC(=O)CNC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-oxopropyl)-3-(trifluoromethyl)benzamide?
The InChIKey is HQMVWWDJIACIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c1-7(16)6-15-10(17)8-3-2-4-9(5-8)11(12,13)14/h2-5H,6H2,1H3,(H,15,17).
What are the key properties of N-(2-oxopropyl)-3-(trifluoromethyl)benzamide?
N-(2-oxopropyl)-3-(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)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 64997394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).