N-cyclohexyl-2,2,2-trifluoro-N-(2-phenylethyl)acetamide

C16H20F3NO — CID 563302

IUPACN-cyclohexyl-2,2,2-trifluoro-N-(2-phenylethyl)acetamide
SMILESO=C(N(CCc1ccccc1)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C16H20F3NO/c17-16(18,19)15(21)20(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2
InChIKeyBKKSAMKWHMPTKM-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.95
Rot. Bonds4

About N-cyclohexyl-2,2,2-trifluoro-N-(2-phenylethyl)acetamide

N-cyclohexyl-2,2,2-trifluoro-N-(2-phenylethyl)acetamide (PubChem CID 563302) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is N-cyclohexyl-2,2,2-trifluoro-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2,2,2-trifluoro-N-(2-phenylethyl)acetamide
PubChem CID563302
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC NameN-cyclohexyl-2,2,2-trifluoro-N-(2-phenylethyl)acetamide
SMILESO=C(N(CCc1ccccc1)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C16H20F3NO/c17-16(18,19)15(21)20(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2
InChIKeyBKKSAMKWHMPTKM-UHFFFAOYSA-N
XLogP3.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopentyl-N-(2-phenylethyl)butanamide
CID 78853681
N-cyclopentyl-2-(methylamino)-N-(2-phenylethyl)acetamide
CID 119771582
N-[(2R,4S)-2-benzyl-1-(3,5-dichlorobenzoyl)piperidin-4-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide
CID 57094766
N-cyclopentyl-N-(2-phenylethyl)pyridine-2-carboxamide
CID 86927162
N-cyclohexyl-N-(2-phenylethyl)-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 99946333
N-cyclohexyl-N-(2-phenylethyl)formamide
CID 87224609
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
2-N-cyclohexyl-2-N-(2-phenylethyl)pyrazine-2,5-dicarboxamide
CID 137338224
N-cyclopentyl-2-(4-methylphenyl)-2-oxo-N-(2-phenylethyl)acetamide
CID 78853741
N-(2-phenylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide
CID 42698365
4-[[cyclopentyl(2-phenylethyl)carbamoyl]amino]butanoic acid
CID 122022295
N-cyclopentyl-2-methyl-3-(methylamino)-N-(2-phenylethyl)propanamide
CID 119771590

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,2,2-trifluoro-N-(2-phenylethyl)acetamide?
The IUPAC name of N-cyclohexyl-2,2,2-trifluoro-N-(2-phenylethyl)acetamide (CID 563302) is N-cyclohexyl-2,2,2-trifluoro-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-cyclohexyl-2,2,2-trifluoro-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-cyclohexyl-2,2,2-trifluoro-N-(2-phenylethyl)acetamide is O=C(N(CCc1ccccc1)C1CCCCC1)C(F)(F)F.
What is the InChIKey of N-cyclohexyl-2,2,2-trifluoro-N-(2-phenylethyl)acetamide?
The InChIKey is BKKSAMKWHMPTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO/c17-16(18,19)15(21)20(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2.
What are the key properties of N-cyclohexyl-2,2,2-trifluoro-N-(2-phenylethyl)acetamide?
N-cyclohexyl-2,2,2-trifluoro-N-(2-phenylethyl)acetamide has a molecular weight of 299.34 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,2,2-trifluoro-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 563302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).