3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide

C13H21F3N2O — CID 102778161

IUPAC3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H21F3N2O/c1-8-5-6-17-11(8)12(19)18-10-4-2-3-9(7-10)13(14,15)16/h8-11,17H,2-7H2,1H3,(H,18,19)
InChIKeyQMDRDGVHUGSSOK-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.22
Rot. Bonds2

About 3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide

3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide (PubChem CID 102778161) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is 3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide
PubChem CID102778161
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H21F3N2O/c1-8-5-6-17-11(8)12(19)18-10-4-2-3-9(7-10)13(14,15)16/h8-11,17H,2-7H2,1H3,(H,18,19)
InChIKeyQMDRDGVHUGSSOK-UHFFFAOYSA-N
XLogP2.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide
CID 11176463
(S)-2-amino-2-cyclohexyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone
CID 9838664
(S)-2-Amino-2-cyclohexyl-1-(3,3-difluoro-pyrrolidin-1-yl)-ethanone
CID 44458617
(S)-2-Amino-2-cyclohexyl-1-((3R,4R)-3,4-difluoro-pyrrolidin-1-yl)-ethanone
CID 44402967
(S)-2-Amino-2-cyclohexyl-1-(3,4-difluoro-pyrrolidin-1-yl)-ethanone
CID 44402971
(2S)-N-(cyclohexylmethyl)-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 49864916
Proline scaffold, 9
CID 42618107
Proline scaffold, 29
CID 42618126
(S)-2-Amino-2-cyclohexyl-1-((3S,4S)-3,4-difluoro-pyrrolidin-1-yl)-ethanone
CID 44402970
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-2-(trifluoromethyl)pyrrolidine-2-carboxamide
CID 71653718
(2S)-N-(cyclohexylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 139534066
N-(cyclohexylmethyl)pyrrolidine-2-carboxamide
CID 18926474

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide (CID 102778161) is 3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide is CC1CCNC1C(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide?
The InChIKey is QMDRDGVHUGSSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-8-5-6-17-11(8)12(19)18-10-4-2-3-9(7-10)13(14,15)16/h8-11,17H,2-7H2,1H3,(H,18,19).
What are the key properties of 3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide?
3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide has a molecular weight of 278.32 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 102778161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).