2-pyrrolidin-2-yl-N-[4-(trifluoromethyl)cyclohexyl]acetamide

C13H21F3N2O — CID 61364829

IUPAC2-pyrrolidin-2-yl-N-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(CC1CCCN1)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H21F3N2O/c14-13(15,16)9-3-5-10(6-4-9)18-12(19)8-11-2-1-7-17-11/h9-11,17H,1-8H2,(H,18,19)
InChIKeyBMWNFMGOUGYQID-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.37
Rot. Bonds3

About 2-pyrrolidin-2-yl-N-[4-(trifluoromethyl)cyclohexyl]acetamide

2-pyrrolidin-2-yl-N-[4-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 61364829) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-N-[4-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-N-[4-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID61364829
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name2-pyrrolidin-2-yl-N-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(CC1CCCN1)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H21F3N2O/c14-13(15,16)9-3-5-10(6-4-9)18-12(19)8-11-2-1-7-17-11/h9-11,17H,1-8H2,(H,18,19)
InChIKeyBMWNFMGOUGYQID-UHFFFAOYSA-N
XLogP2.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-pyrrolidin-2-yl-N-[4-(trifluoromethyl)cyclohexyl]acetamide 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 2-pyrrolidin-2-yl-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-pyrrolidin-2-yl-N-[4-(trifluoromethyl)cyclohexyl]acetamide (CID 61364829) is 2-pyrrolidin-2-yl-N-[4-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-pyrrolidin-2-yl-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-pyrrolidin-2-yl-N-[4-(trifluoromethyl)cyclohexyl]acetamide is O=C(CC1CCCN1)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-pyrrolidin-2-yl-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is BMWNFMGOUGYQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c14-13(15,16)9-3-5-10(6-4-9)18-12(19)8-11-2-1-7-17-11/h9-11,17H,1-8H2,(H,18,19).
What are the key properties of 2-pyrrolidin-2-yl-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
2-pyrrolidin-2-yl-N-[4-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 278.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-N-[4-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 61364829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).