N-[(2-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

C14H22F3NO2 — CID 79026362

IUPACN-[(2-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCC1CCCC1O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H22F3NO2/c15-14(16,17)11-5-1-3-9(7-11)13(20)18-8-10-4-2-6-12(10)19/h9-12,19H,1-8H2,(H,18,20)
InChIKeyBTVHIVVANXKYEE-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.63
Rot. Bonds3

About N-[(2-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-[(2-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 79026362) has the molecular formula C14H22F3NO2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID79026362
Molecular FormulaC14H22F3NO2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCC1CCCC1O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H22F3NO2/c15-14(16,17)11-5-1-3-9(7-11)13(20)18-8-10-4-2-6-12(10)19/h9-12,19H,1-8H2,(H,18,20)
InChIKeyBTVHIVVANXKYEE-UHFFFAOYSA-N
XLogP2.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 79026362) is N-[(2-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(NCC1CCCC1O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is BTVHIVVANXKYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO2/c15-14(16,17)11-5-1-3-9(7-11)13(20)18-8-10-4-2-6-12(10)19/h9-12,19H,1-8H2,(H,18,20).
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[(2-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79026362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).