N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethyl)cyclohexane-1-carboxamide

C13H21F3N2O — CID 112701336

IUPACN-methyl-N-pyrrolidin-3-yl-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(C(=O)C1CCCCC1C(F)(F)F)C1CCNC1
InChIInChI=1S/C13H21F3N2O/c1-18(9-6-7-17-8-9)12(19)10-4-2-3-5-11(10)13(14,15)16/h9-11,17H,2-8H2,1H3
InChIKeyBHTYQXJVAZAFOP-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.18
Rot. Bonds2

About N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 112701336) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-pyrrolidin-3-yl-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID112701336
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC NameN-methyl-N-pyrrolidin-3-yl-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(C(=O)C1CCCCC1C(F)(F)F)C1CCNC1
InChIInChI=1S/C13H21F3N2O/c1-18(9-6-7-17-8-9)12(19)10-4-2-3-5-11(10)13(14,15)16/h9-11,17H,2-8H2,1H3
InChIKeyBHTYQXJVAZAFOP-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-N-methyl-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119550374
(3S)-N-methyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 131110681
N-methyl-N-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid
CID 156620205
methyl-[(3S)-pyrrolidin-3-yl]carbamic acid
CID 66936290
N-(2-aminoethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104621885
N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 174958940
N-methyl-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride
CID 119011345
N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60807525
cis-(1R,2S)-2-(2,3-difluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 124613976
trans-(1R,2R)-2-(2,3-difluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 124781032
N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115753
N-cyclopentyl-N-(2-hydroxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622417

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 112701336) is N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethyl)cyclohexane-1-carboxamide is CN(C(=O)C1CCCCC1C(F)(F)F)C1CCNC1.
What is the InChIKey of N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is BHTYQXJVAZAFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-18(9-6-7-17-8-9)12(19)10-4-2-3-5-11(10)13(14,15)16/h9-11,17H,2-8H2,1H3.
What are the key properties of N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 278.32 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 112701336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).