N-(1-benzylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide

C13H15F3N2O — CID 2735993

IUPACN-(1-benzylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)C(F)(F)F
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)12(19)17-11-6-7-18(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,17,19)
InChIKeyHFZWIEKMCFJKFB-UHFFFAOYSA-N
MW272.27 g/mol
LogP1.94
Rot. Bonds3

About N-(1-benzylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide

N-(1-benzylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide (PubChem CID 2735993) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide
PubChem CID2735993
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)C(F)(F)F
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)12(19)17-11-6-7-18(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,17,19)
InChIKeyHFZWIEKMCFJKFB-UHFFFAOYSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Nebracetam
CID 65926
N-benzyl-5-oxopyrrolidine-2-carboxamide
CID 3519775
Acetamide, N-benzyl-2-(1-pyrrolidinyl)-, hydrochloride
CID 2959243
1-Benzylimidazolidin-2-one
CID 231403
1-(4-Benzylpiperazin-1-yl)-2,2,2-trifluoroethan-1-one
CID 5216003
N-Benzyl-3-[2-(2-cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-propionamide
CID 11645337
(R)-N-Benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 155213164
1-Pyrrolidineacetamide, N-[(2-fluorophenyl)methyl]-|A-methyl-2,5-dioxo-, (|AR)-
CID 155213179
(4R,5S)-(-)-1,5-Dimethyl-4-phenyl-2-imidazolidinone
CID 6931391
1-Pyrrolidineacetamide, N-(diphenylmethyl)-
CID 216501
2-(Diethylamino)-N-(1-phenylethyl)ethanimidic acid
CID 209462
N-(1-phenylethyl)acetamide
CID 222023

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide (CID 2735993) is N-(1-benzylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide is O=C(NC1CCN(Cc2ccccc2)C1)C(F)(F)F.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide?
The InChIKey is HFZWIEKMCFJKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c14-13(15,16)12(19)17-11-6-7-18(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,17,19).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide?
N-(1-benzylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide has a molecular weight of 272.27 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 2735993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).