2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide

C13H21F3N2O — CID 79388833

IUPAC2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H21F3N2O/c1-8-11(6-7-17-8)12(19)18-10-4-2-9(3-5-10)13(14,15)16/h8-11,17H,2-7H2,1H3,(H,18,19)
InChIKeyDOYSXBUSBHVUSJ-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.22
Rot. Bonds2

About 2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide

2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide (PubChem CID 79388833) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
PubChem CID79388833
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H21F3N2O/c1-8-11(6-7-17-8)12(19)18-10-4-2-9(3-5-10)13(14,15)16/h8-11,17H,2-7H2,1H3,(H,18,19)
InChIKeyDOYSXBUSBHVUSJ-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

2-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
CID 106739127
N-(4,4-dimethylcyclohexyl)-2-methylpyrrolidine-3-carboxamide
CID 79384106
2-methyl-N-(1-methylpyrrolidin-3-yl)pyrrolidine-3-carboxamide
CID 79388554
N,2-dimethylpyrrolidine-3-carboxamide
CID 79382983
2-cyclopropyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 79389266
2-methyl-N-(1-methylpiperidin-3-yl)pyrrolidine-3-carboxamide
CID 79389112
2-methylpyrrolidine-3-carbohydrazide
CID 79384311
2-methyl-N-(2-methylcyclopentyl)pyrrolidine-3-carboxamide
CID 79384002
N-(2,2-dimethyloxan-4-yl)-2-methylpyrrolidine-3-carboxamide
CID 83032762
2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
CID 102953523
N-cyclopropyl-3-(trifluoromethyl)cyclopentane-1-carboxamide
CID 126783084
4-(ethylamino)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide
CID 66259260

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide?
The IUPAC name of 2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide (CID 79388833) is 2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide is CC1NCCC1C(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide?
The InChIKey is DOYSXBUSBHVUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-8-11(6-7-17-8)12(19)18-10-4-2-9(3-5-10)13(14,15)16/h8-11,17H,2-7H2,1H3,(H,18,19).
What are the key properties of 2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide?
2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-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 2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 79388833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).