N-(1-benzylpyrrolidin-3-yl)-3,3-difluoro-N-methylcyclobutane-1-carboxamide

C17H22F2N2O — CID 136515164

IUPACN-(1-benzylpyrrolidin-3-yl)-3,3-difluoro-N-methylcyclobutane-1-carboxamide
SMILESCN(C(=O)C1CC(F)(F)C1)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H22F2N2O/c1-20(16(22)14-9-17(18,19)10-14)15-7-8-21(12-15)11-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3
InChIKeyLYDJHXWXGSDFER-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.76
Rot. Bonds4

About N-(1-benzylpyrrolidin-3-yl)-3,3-difluoro-N-methylcyclobutane-1-carboxamide

N-(1-benzylpyrrolidin-3-yl)-3,3-difluoro-N-methylcyclobutane-1-carboxamide (PubChem CID 136515164) has the molecular formula C17H22F2N2O and a molecular weight of 308.37 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-3,3-difluoro-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-3,3-difluoro-N-methylcyclobutane-1-carboxamide
PubChem CID136515164
Molecular FormulaC17H22F2N2O
Molecular Weight308.37 g/mol
Exact Mass308.17
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-3,3-difluoro-N-methylcyclobutane-1-carboxamide
SMILESCN(C(=O)C1CC(F)(F)C1)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H22F2N2O/c1-20(16(22)14-9-17(18,19)10-14)15-7-8-21(12-15)11-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3
InChIKeyLYDJHXWXGSDFER-UHFFFAOYSA-N
XLogP2.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzylpiperidin-3-yl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 127393578
N-(1-benzylpiperidin-3-yl)-N-methylpiperidine-3-carboxamide;dihydrochloride
CID 119857542
N-methyl-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 154872949
tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(3,3-dimethylcyclobutyl)carbamate
CID 167503825
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
(2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide
CID 66563977
N-(1-benzylazetidin-3-yl)-N-methylacetamide
CID 141369183
N-(1-benzylpiperidin-4-yl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 154801400
2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol
CID 66565025
1-[(3R)-1-benzylpyrrolidin-3-yl]-2-methylpropan-1-one
CID 59669005
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878304
N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanecarboxamide
CID 166603468

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-3,3-difluoro-N-methylcyclobutane-1-carboxamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-3,3-difluoro-N-methylcyclobutane-1-carboxamide (CID 136515164) is N-(1-benzylpyrrolidin-3-yl)-3,3-difluoro-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-3,3-difluoro-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-3,3-difluoro-N-methylcyclobutane-1-carboxamide is CN(C(=O)C1CC(F)(F)C1)C1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-3,3-difluoro-N-methylcyclobutane-1-carboxamide?
The InChIKey is LYDJHXWXGSDFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O/c1-20(16(22)14-9-17(18,19)10-14)15-7-8-21(12-15)11-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3.
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-3,3-difluoro-N-methylcyclobutane-1-carboxamide?
N-(1-benzylpyrrolidin-3-yl)-3,3-difluoro-N-methylcyclobutane-1-carboxamide has a molecular weight of 308.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-3,3-difluoro-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 136515164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).