N-cyclopentyl-N-(2-hydroxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C15H24F3NO2 — CID 104622417

IUPACN-cyclopentyl-N-(2-hydroxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(C1CCCCC1C(F)(F)F)N(CCO)C1CCCC1
InChIInChI=1S/C15H24F3NO2/c16-15(17,18)13-8-4-3-7-12(13)14(21)19(9-10-20)11-5-1-2-6-11/h11-13,20H,1-10H2
InChIKeyLYQVGNNBEIAPEQ-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.12
Rot. Bonds4

About N-cyclopentyl-N-(2-hydroxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-cyclopentyl-N-(2-hydroxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 104622417) has the molecular formula C15H24F3NO2 and a molecular weight of 307.36 g/mol. Its IUPAC name is N-cyclopentyl-N-(2-hydroxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(2-hydroxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID104622417
Molecular FormulaC15H24F3NO2
Molecular Weight307.36 g/mol
Exact Mass307.18
IUPAC NameN-cyclopentyl-N-(2-hydroxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(C1CCCCC1C(F)(F)F)N(CCO)C1CCCC1
InChIInChI=1S/C15H24F3NO2/c16-15(17,18)13-8-4-3-7-12(13)14(21)19(9-10-20)11-5-1-2-6-11/h11-13,20H,1-10H2
InChIKeyLYQVGNNBEIAPEQ-UHFFFAOYSA-N
XLogP3.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-hydroxypropyl]-N-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 97813441
2-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 65880884
[(3S)-3-hydroxypyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 71922607
N-(2-hydroxypropyl)-N-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 75502853
N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78887932
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 80471678
N-cyclopropyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81047304
N,N-bis(2-hydroxyethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81907564
N-(2-hydroxyethyl)-N-pentan-3-yl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81929182
N-(2-hydroxyethyl)-N-pentan-3-yl-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81929183
N-cyclopentyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81929219
N-cyclopentyl-N-(2-hydroxyethyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81929220

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(2-hydroxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-cyclopentyl-N-(2-hydroxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 104622417) is N-cyclopentyl-N-(2-hydroxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-(2-hydroxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-N-(2-hydroxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(C1CCCCC1C(F)(F)F)N(CCO)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-(2-hydroxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is LYQVGNNBEIAPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NO2/c16-15(17,18)13-8-4-3-7-12(13)14(21)19(9-10-20)11-5-1-2-6-11/h11-13,20H,1-10H2.
What are the key properties of N-cyclopentyl-N-(2-hydroxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-cyclopentyl-N-(2-hydroxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(2-hydroxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 104622417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).