(1R)-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohex-3-ene-1-carboxamide

C20H23F3N2O2 — CID 51948082

IUPAC(1R)-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)[C@H]1CC=CCC1
InChIInChI=1S/C20H23F3N2O2/c21-20(22,23)16-9-4-8-15(12-16)17(13-25-11-5-10-18(25)26)24-19(27)14-6-2-1-3-7-14/h1-2,4,8-9,12,14,17H,3,5-7,10-11,13H2,(H,24,27)/t14-,17-/m0/s1
InChIKeyXFCCSONPKDGERX-YOEHRIQHSA-N
MW380.41 g/mol
LogP3.84
Rot. Bonds5

About (1R)-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohex-3-ene-1-carboxamide

(1R)-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohex-3-ene-1-carboxamide (PubChem CID 51948082) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is (1R)-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohex-3-ene-1-carboxamide
PubChem CID51948082
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name(1R)-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)[C@H]1CC=CCC1
InChIInChI=1S/C20H23F3N2O2/c21-20(22,23)16-9-4-8-15(12-16)17(13-25-11-5-10-18(25)26)24-19(27)14-6-2-1-3-7-14/h1-2,4,8-9,12,14,17H,3,5-7,10-11,13H2,(H,24,27)/t14-,17-/m0/s1
InChIKeyXFCCSONPKDGERX-YOEHRIQHSA-N
XLogP3.84
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 ≤ 53.84
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

(3S)-3-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1,3-dicarboxamide
CID 51948108
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 94118048
N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55714480
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 94118050
1-(2,3-dimethylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 55714326
(2R)-2-methylsulfanyl-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 51953556
2-(2-chlorophenyl)sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 42961750
1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 51948068
N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]benzamide
CID 86966069
N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-pyrrol-1-ylbenzamide
CID 55714604
3-(furan-2-yl)-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 51948079
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]cyclohex-3-ene-1-carboxamide
CID 111108754

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohex-3-ene-1-carboxamide (CID 51948082) is (1R)-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohex-3-ene-1-carboxamide is O=C(N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is XFCCSONPKDGERX-YOEHRIQHSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c21-20(22,23)16-9-4-8-15(12-16)17(13-25-11-5-10-18(25)26)24-19(27)14-6-2-1-3-7-14/h1-2,4,8-9,12,14,17H,3,5-7,10-11,13H2,(H,24,27)/t14-,17-/m0/s1.
What are the key properties of (1R)-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 51948082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).