5-oxo-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide

C12H17F3N2O2 — CID 78983188

IUPAC5-oxo-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NC2CCC(C(F)(F)F)CC2)CN1
InChIInChI=1S/C12H17F3N2O2/c13-12(14,15)8-1-3-9(4-2-8)17-11(19)7-5-10(18)16-6-7/h7-9H,1-6H2,(H,16,18)(H,17,19)
InChIKeyXIELJUCIHQGYTM-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.36
Rot. Bonds2

About 5-oxo-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide

5-oxo-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide (PubChem CID 78983188) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 5-oxo-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
PubChem CID78983188
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC Name5-oxo-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NC2CCC(C(F)(F)F)CC2)CN1
InChIInChI=1S/C12H17F3N2O2/c13-12(14,15)8-1-3-9(4-2-8)17-11(19)7-5-10(18)16-6-7/h7-9H,1-6H2,(H,16,18)(H,17,19)
InChIKeyXIELJUCIHQGYTM-UHFFFAOYSA-N
XLogP1.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-1-(2,2,2-trifluoroethyl)-4-[[4-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one
CID 97835123
(2R)-3-acetamido-N-[(1S)-1-cyclohexyl-2,2-difluoroethyl]-2-methylpropanamide
CID 170579438
3-amino-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 43711809
4-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide
CID 43711817
3-amino-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 43712679
4-amino-N-[4-(trifluoromethyl)cyclohexyl]butanamide
CID 43712687
3-amino-N-[2-(trifluoromethyl)cyclohexyl]propanamide
CID 43712733
4-amino-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 43712745
1-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-1,3-dicarboxamide
CID 53513077
3-amino-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 54924277
3-(cyclopropylamino)-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 54924684
2-amino-N-[4-(trifluoromethyl)cyclohexyl]butanediamide
CID 54928617

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide (CID 78983188) is 5-oxo-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide is O=C1CC(C(=O)NC2CCC(C(F)(F)F)CC2)CN1.
What is the InChIKey of 5-oxo-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide?
The InChIKey is XIELJUCIHQGYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c13-12(14,15)8-1-3-9(4-2-8)17-11(19)7-5-10(18)16-6-7/h7-9H,1-6H2,(H,16,18)(H,17,19).
What are the key properties of 5-oxo-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide?
5-oxo-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide has a molecular weight of 278.27 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 78983188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).