5-oxo-N-(1-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C19H23F3N2O2 — CID 86948605

IUPAC5-oxo-N-(1-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(NC1(c2ccccc2)CCCCC1)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C19H23F3N2O2/c20-19(21,22)13-24-12-14(11-16(24)25)17(26)23-18(9-5-2-6-10-18)15-7-3-1-4-8-15/h1,3-4,7-8,14H,2,5-6,9-13H2,(H,23,26)
InChIKeyFLJRDXOXOBYNQT-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.37
Rot. Bonds4

About 5-oxo-N-(1-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

5-oxo-N-(1-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 86948605) has the molecular formula C19H23F3N2O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 5-oxo-N-(1-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(1-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID86948605
Molecular FormulaC19H23F3N2O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Name5-oxo-N-(1-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(NC1(c2ccccc2)CCCCC1)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C19H23F3N2O2/c20-19(21,22)13-24-12-14(11-16(24)25)17(26)23-18(9-5-2-6-10-18)15-7-3-1-4-8-15/h1,3-4,7-8,14H,2,5-6,9-13H2,(H,23,26)
InChIKeyFLJRDXOXOBYNQT-UHFFFAOYSA-N
XLogP3.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]cyclobutyl]acetic acid
CID 129466521
(3S)-5-oxo-N-(2-phenylpropan-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95130133
5-oxo-N-[(E)-3-phenylprop-2-enyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 75407299
(3S)-N-[1-(3-bromophenyl)cyclobutyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 95580520
(2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 119367466
(3R)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95130119
(3R)-N-[2-methyl-2-(2-methylphenyl)propyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 52843861
(3S)-1-acetyl-N-(1-phenylcyclopentyl)pyrrolidine-3-carboxamide
CID 92633244
N-[(1-cyclopropylcyclobutyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 71844671
(3R)-N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 96526799
N-[2-(ethylaminomethyl)phenyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 119440503
4-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 125148865

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(1-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-(1-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 86948605) is 5-oxo-N-(1-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-(1-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-(1-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is O=C(NC1(c2ccccc2)CCCCC1)C1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of 5-oxo-N-(1-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is FLJRDXOXOBYNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O2/c20-19(21,22)13-24-12-14(11-16(24)25)17(26)23-18(9-5-2-6-10-18)15-7-3-1-4-8-15/h1,3-4,7-8,14H,2,5-6,9-13H2,(H,23,26).
What are the key properties of 5-oxo-N-(1-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
5-oxo-N-(1-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(1-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 86948605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).