N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C20H23F3N2O2 — CID 113188623

IUPACN-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CC(=O)N(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H23F3N2O2/c21-20(22,23)16-7-4-8-17(12-16)25-13-15(11-18(25)26)19(27)24-10-9-14-5-2-1-3-6-14/h4-5,7-8,12,15H,1-3,6,9-11,13H2,(H,24,27)
InChIKeyYVCVGRDPKVNHGW-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.07
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 113188623) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID113188623
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CC(=O)N(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H23F3N2O2/c21-20(22,23)16-7-4-8-17(12-16)25-13-15(11-18(25)26)19(27)24-10-9-14-5-2-1-3-6-14/h4-5,7-8,12,15H,1-3,6,9-11,13H2,(H,24,27)
InChIKeyYVCVGRDPKVNHGW-UHFFFAOYSA-N
XLogP4.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42943937
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46684610
N-[2-(cyclohexen-1-yl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46321683
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6549662
(3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090579
N-[(4-chlorophenyl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188634
N-[2-(cyclohexen-1-yl)ethyl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188452
5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46789600
N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190524
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109132859
N,1-bis[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182291
N-[2-[[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-6-carboxamide
CID 42651319

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 113188623) is N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is O=C(NCCC1=CCCCC1)C1CC(=O)N(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is YVCVGRDPKVNHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c21-20(22,23)16-7-4-8-17(12-16)25-13-15(11-18(25)26)19(27)24-10-9-14-5-2-1-3-6-14/h4-5,7-8,12,15H,1-3,6,9-11,13H2,(H,24,27).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 113188623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).