N-(1-benzyl-4,4-difluoropyrrolidin-3-yl)-2,2-dimethylpropanamide

C16H22F2N2O — CID 67294048

IUPACN-(1-benzyl-4,4-difluoropyrrolidin-3-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CN(Cc2ccccc2)CC1(F)F
InChIInChI=1S/C16H22F2N2O/c1-15(2,3)14(21)19-13-10-20(11-16(13,17)18)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,19,21)
InChIKeyGOGUYIVGJXMMBQ-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.67
Rot. Bonds3

About N-(1-benzyl-4,4-difluoropyrrolidin-3-yl)-2,2-dimethylpropanamide

N-(1-benzyl-4,4-difluoropyrrolidin-3-yl)-2,2-dimethylpropanamide (PubChem CID 67294048) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is N-(1-benzyl-4,4-difluoropyrrolidin-3-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1-benzyl-4,4-difluoropyrrolidin-3-yl)-2,2-dimethylpropanamide
PubChem CID67294048
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC NameN-(1-benzyl-4,4-difluoropyrrolidin-3-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CN(Cc2ccccc2)CC1(F)F
InChIInChI=1S/C16H22F2N2O/c1-15(2,3)14(21)19-13-10-20(11-16(13,17)18)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,19,21)
InChIKeyGOGUYIVGJXMMBQ-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-benzyl-4-(2,2-dimethylpropanoylamino)pyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 53431992
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
N-[(7S)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]acetamide
CID 139918944
N-(1-benzyl-3,3-difluoropiperidin-4-yl)-2-methylpropane-2-sulfinamide
CID 169240706
tert-butyl N-(7-benzyl-2-oxa-7-azaspiro[3.4]octan-5-yl)carbamate
CID 86691374
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 39984129
methyl (3S)-1-benzyl-5,5-difluoropiperidine-3-carboxylate
CID 97357046
1-benzyl-3,3-difluoro-5,5-dimethylpiperidin-4-ol
CID 131168959
(3S,4R)-1-benzyl-3-tert-butyl-4-methylpyrrolidin-3-ol
CID 101210615
1-benzyl-3,3-difluoro-4-(4-methylphenyl)pyrrolidine
CID 122380731
(4S)-1-benzyl-3,3-difluoropiperidine-4-carboxylic acid
CID 124674456
[(3R)-1-benzyl-5,5-dimethylpiperidin-3-yl]carbamic acid
CID 129241403

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4,4-difluoropyrrolidin-3-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(1-benzyl-4,4-difluoropyrrolidin-3-yl)-2,2-dimethylpropanamide (CID 67294048) is N-(1-benzyl-4,4-difluoropyrrolidin-3-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(1-benzyl-4,4-difluoropyrrolidin-3-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(1-benzyl-4,4-difluoropyrrolidin-3-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1CN(Cc2ccccc2)CC1(F)F.
What is the InChIKey of N-(1-benzyl-4,4-difluoropyrrolidin-3-yl)-2,2-dimethylpropanamide?
The InChIKey is GOGUYIVGJXMMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-15(2,3)14(21)19-13-10-20(11-16(13,17)18)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,19,21).
What are the key properties of N-(1-benzyl-4,4-difluoropyrrolidin-3-yl)-2,2-dimethylpropanamide?
N-(1-benzyl-4,4-difluoropyrrolidin-3-yl)-2,2-dimethylpropanamide has a molecular weight of 296.36 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4,4-difluoropyrrolidin-3-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 67294048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).