2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide

C15H19F3N2O — CID 79378638

IUPAC2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CCNC1C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O/c1-9(20-14(21)13-7-8-19-10(13)2)11-3-5-12(6-4-11)15(16,17)18/h3-6,9-10,13,19H,7-8H2,1-2H3,(H,20,21)
InChIKeyXWACFFOIWXEVCF-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.88
Rot. Bonds3

About 2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide

2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide (PubChem CID 79378638) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide
PubChem CID79378638
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CCNC1C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O/c1-9(20-14(21)13-7-8-19-10(13)2)11-3-5-12(6-4-11)15(16,17)18/h3-6,9-10,13,19H,7-8H2,1-2H3,(H,20,21)
InChIKeyXWACFFOIWXEVCF-UHFFFAOYSA-N
XLogP2.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 79388581
N-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79385324
2-methyl-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 79383303
2-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 79378615
2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 81360733
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79378610
N-[1-(2-fluorophenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79388197
2-pyridin-3-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 49323730
(2S,4S)-2-methyl-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxamide;hydrochloride
CID 120639730
2-pyrrolidin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 61366605
N-[1-(4-tert-butylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 47161890
2-methyl-6-oxo-N-[(1R)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139268244

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide (CID 79378638) is 2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide is CC(NC(=O)C1CCNC1C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide?
The InChIKey is XWACFFOIWXEVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-9(20-14(21)13-7-8-19-10(13)2)11-3-5-12(6-4-11)15(16,17)18/h3-6,9-10,13,19H,7-8H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide?
2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 79378638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).