N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide

C15H19F3N2O — CID 130485423

IUPACN-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCC1(CNC(=O)C(F)(F)F)CCN(Cc2ccccc2)C1
InChIInChI=1S/C15H19F3N2O/c1-14(10-19-13(21)15(16,17)18)7-8-20(11-14)9-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,19,21)
InChIKeyMDHCTVZURXPYPP-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.58
Rot. Bonds4

About N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide

N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 130485423) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide
PubChem CID130485423
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCC1(CNC(=O)C(F)(F)F)CCN(Cc2ccccc2)C1
InChIInChI=1S/C15H19F3N2O/c1-14(10-19-13(21)15(16,17)18)7-8-20(11-14)9-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,19,21)
InChIKeyMDHCTVZURXPYPP-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid
CID 71268606
1-benzyl-3-methylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 159201320
N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 166179274
1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid;hydrochloride
CID 71758384
N-[(3-acetamido-1-benzylpyrrolidin-3-yl)methyl]acetamide
CID 126807065
1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxamide
CID 154385489
N-[(1-benzyl-3-butyl-2,6-dihydropyridin-3-yl)methyl]-2,2,2-trifluoroacetamide
CID 11314216
(2S)-2-[[(3S)-1-benzyl-3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 124693393
1-benzyl-3-methyl-3-propylpyrrolidine;molecular hydrogen
CID 143853919
N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 124514796
2-[[1-benzyl-3-(trifluoromethyl)pyrrolidine-3-carbonyl]-methylamino]acetic acid
CID 119346070
N-(3-aminopropyl)-1-benzyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119407848

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide (CID 130485423) is N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide is CC1(CNC(=O)C(F)(F)F)CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is MDHCTVZURXPYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-14(10-19-13(21)15(16,17)18)7-8-20(11-14)9-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,19,21).
What are the key properties of N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide?
N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 300.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 130485423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).