N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide

C16H20F3NO — CID 112764056

IUPACN-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide
SMILESCC(NC(=O)C1CCCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H20F3NO/c1-11(20-15(21)12-6-3-2-4-7-12)13-8-5-9-14(10-13)16(17,18)19/h5,8-12H,2-4,6-7H2,1H3,(H,20,21)
InChIKeyNTIGFSUVJKNRFR-UHFFFAOYSA-N
MW299.34 g/mol
LogP4.46
Rot. Bonds3

About N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide

N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide (PubChem CID 112764056) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide
PubChem CID112764056
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC NameN-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide
SMILESCC(NC(=O)C1CCCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H20F3NO/c1-11(20-15(21)12-6-3-2-4-7-12)13-8-5-9-14(10-13)16(17,18)19/h5,8-12H,2-4,6-7H2,1H3,(H,20,21)
InChIKeyNTIGFSUVJKNRFR-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide
CID 66009151
1-prop-2-ynyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 51091244
cis-(1S,2R)-2-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 51968750
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 26313473
N-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide
CID 46580283
3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119686308
1-(4-fluorophenyl)sulfonyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 17440165
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 40790617
3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119686309
N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]oxane-4-carboxamide
CID 51107956
1-(3-acetylphenyl)sulfonyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 112764001
N-[1-(3-fluorophenyl)ethyl]cyclopropanecarboxamide
CID 60630491

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide (CID 112764056) is N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide is CC(NC(=O)C1CCCCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide?
The InChIKey is NTIGFSUVJKNRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO/c1-11(20-15(21)12-6-3-2-4-7-12)13-8-5-9-14(10-13)16(17,18)19/h5,8-12H,2-4,6-7H2,1H3,(H,20,21).
What are the key properties of N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide?
N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide has a molecular weight of 299.34 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 112764056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).