N-ethyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide

C14H18F3NO — CID 78858694

IUPACN-ethyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC(F)(F)F)C(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H18F3NO/c1-4-18(9-14(15,16)17)13(19)12-7-5-11(6-8-12)10(2)3/h5-8,10H,4,9H2,1-3H3
InChIKeyFTELMCZRUYKSLF-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.83
Rot. Bonds4

About N-ethyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide

N-ethyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 78858694) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is N-ethyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID78858694
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC NameN-ethyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC(F)(F)F)C(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H18F3NO/c1-4-18(9-14(15,16)17)13(19)12-7-5-11(6-8-12)10(2)3/h5-8,10H,4,9H2,1-3H3
InChIKeyFTELMCZRUYKSLF-UHFFFAOYSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(difluoromethylsulfanyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858692
4-carbamothioyl-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55009098
4-chloro-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;ethane
CID 161395322
3-amino-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55006686
methyl 3-[ethyl-(4-propan-2-ylbenzoyl)amino]propanoate
CID 61008740
4-amino-N-butyl-N-(2,2,2-trifluoroethyl)benzamide
CID 54906063
N-ethyl-3-hydroxy-4-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 104627951
N,N-dibenzyl-4-propan-2-ylbenzamide
CID 5101447
N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858632
N-(2,2-dimethylpropyl)-4-[ethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 86890747
4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butan-1-one
CID 64565089
N-ethyl-3-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 63213833

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-ethyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide (CID 78858694) is N-ethyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-ethyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-ethyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide is CCN(CC(F)(F)F)C(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-ethyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is FTELMCZRUYKSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-4-18(9-14(15,16)17)13(19)12-7-5-11(6-8-12)10(2)3/h5-8,10H,4,9H2,1-3H3.
What are the key properties of N-ethyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide?
N-ethyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 273.30 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 78858694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).