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

C12H14F3NO — CID 78865711

IUPACN-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC(F)(F)F)C(=O)c1ccccc1C
InChIInChI=1S/C12H14F3NO/c1-3-16(8-12(13,14)15)11(17)10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3
InChIKeyXLPVZSUGJLEBRV-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.02
Rot. Bonds3

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

N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 78865711) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID78865711
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC NameN-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC(F)(F)F)C(=O)c1ccccc1C
InChIInChI=1S/C12H14F3NO/c1-3-16(8-12(13,14)15)11(17)10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3
InChIKeyXLPVZSUGJLEBRV-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

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Related Compounds

N-butyl-2-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 80719091
2-[(2-fluoro-3-methylbenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81481850
N,N-diethyl-2-fluoro-3-methylbenzamide
CID 80718588
2-methyl-N,N-dipentylbenzamide
CID 4576290
N,N-diethyl-2-(trifluoromethylsulfanyl)benzamide
CID 60753360
2-[(2-fluorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990578
N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858632
2-ethoxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 107483427
2-amino-N-ethyl-3-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 115678872
N-(2-chloroethyl)-2-methyl-N-propylbenzamide
CID 63392900
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-fluoro-3-methylbenzamide
CID 81477271
N-(2-aminoethyl)-3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107493496

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 78865711) is N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)benzamide is CCN(CC(F)(F)F)C(=O)c1ccccc1C.
What is the InChIKey of N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is XLPVZSUGJLEBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-3-16(8-12(13,14)15)11(17)10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3.
What are the key properties of N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?
N-ethyl-2-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-2-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 78865711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).