N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide

C12H14F3NO — CID 78858632

IUPACN-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC(F)(F)F)C(=O)c1cccc(C)c1
InChIInChI=1S/C12H14F3NO/c1-3-16(8-12(13,14)15)11(17)10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3
InChIKeyJVDXUHULXNAAFP-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.02
Rot. Bonds3

About N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide

N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 78858632) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID78858632
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC NameN-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC(F)(F)F)C(=O)c1cccc(C)c1
InChIInChI=1S/C12H14F3NO/c1-3-16(8-12(13,14)15)11(17)10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3
InChIKeyJVDXUHULXNAAFP-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;ethane
CID 161395322
N,N-diethylcarbamoyl chloride;N,N-diethylethanamine;N,N-diethyl-3-methylbenzamide;3-methylbenzoic acid
CID 158007801
1-(3-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 60892938
N-ethyl-3-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 63213833
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
N,N-bis(2-hydroxyethyl)-3-methylbenzamide
CID 60653227
N-ethyl-3-hydroxy-4-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 104627951
3-methyl-N,N-di(undecyl)benzamide
CID 533252
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 79380762
N-(2,2-dimethylpropyl)-3-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 56531059
3-amino-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55006686
N-butyl-3-chloro-N-(2,2,2-trifluoroethyl)benzamide
CID 78883501

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 78858632) is N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide is CCN(CC(F)(F)F)C(=O)c1cccc(C)c1.
What is the InChIKey of N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is JVDXUHULXNAAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-3-16(8-12(13,14)15)11(17)10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3.
What are the key properties of N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide?
N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 245.24 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 78858632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).