N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-4,4,4-trifluorobutanamide

C17H23F3N2O — CID 124758221

IUPACN-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)NCC[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H23F3N2O/c18-17(19,20)9-6-16(23)21-10-7-15-8-11-22(13-15)12-14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H,21,23)/t15-/m1/s1
InChIKeyYBANBQKKZOUSBT-OAHLLOKOSA-N
MW328.38 g/mol
LogP3.36
Rot. Bonds7

About N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-4,4,4-trifluorobutanamide

N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-4,4,4-trifluorobutanamide (PubChem CID 124758221) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-4,4,4-trifluorobutanamide
PubChem CID124758221
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC NameN-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)NCC[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H23F3N2O/c18-17(19,20)9-6-16(23)21-10-7-15-8-11-22(13-15)12-14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H,21,23)/t15-/m1/s1
InChIKeyYBANBQKKZOUSBT-OAHLLOKOSA-N
XLogP3.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-cyclopentylacetamide
CID 124753121
tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate
CID 97170435
N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 124514796
N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-fluoro-6-methoxybenzamide
CID 125169754
N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3,5-difluoropyridine-2-carboxamide
CID 125165434
N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136948026
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
2-amino-N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553009
2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553008
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]acetamide
CID 66565184
N-[(1-benzylpyrrolidin-3-yl)methyl]-3-ethylsulfanylpropanamide
CID 118788894
1-benzyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 55025121

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-4,4,4-trifluorobutanamide (CID 124758221) is N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-4,4,4-trifluorobutanamide is O=C(CCC(F)(F)F)NCC[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-4,4,4-trifluorobutanamide?
The InChIKey is YBANBQKKZOUSBT-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23F3N2O/c18-17(19,20)9-6-16(23)21-10-7-15-8-11-22(13-15)12-14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H,21,23)/t15-/m1/s1.
What are the key properties of N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-4,4,4-trifluorobutanamide?
N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-4,4,4-trifluorobutanamide has a molecular weight of 328.38 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 124758221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).