N-(2,3-difluorophenyl)-2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoacetamide

C20H19F3N2O2 — CID 146146796

IUPACN-(2,3-difluorophenyl)-2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoacetamide
SMILESCC1(C)C(c2cccc(F)c2)CCN1C(=O)C(=O)Nc1cccc(F)c1F
InChIInChI=1S/C20H19F3N2O2/c1-20(2)14(12-5-3-6-13(21)11-12)9-10-25(20)19(27)18(26)24-16-8-4-7-15(22)17(16)23/h3-8,11,14H,9-10H2,1-2H3,(H,24,26)
InChIKeyADDQNMVTXDVCMW-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.84
Rot. Bonds2

About N-(2,3-difluorophenyl)-2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoacetamide

N-(2,3-difluorophenyl)-2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoacetamide (PubChem CID 146146796) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoacetamide
PubChem CID146146796
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC NameN-(2,3-difluorophenyl)-2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoacetamide
SMILESCC1(C)C(c2cccc(F)c2)CCN1C(=O)C(=O)Nc1cccc(F)c1F
InChIInChI=1S/C20H19F3N2O2/c1-20(2)14(12-5-3-6-13(21)11-12)9-10-25(20)19(27)18(26)24-16-8-4-7-15(22)17(16)23/h3-8,11,14H,9-10H2,1-2H3,(H,24,26)
InChIKeyADDQNMVTXDVCMW-UHFFFAOYSA-N
XLogP3.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-difluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide
CID 47457467
1-[2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 138057277
N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N'-(2,3-difluorophenyl)oxamide
CID 95635039
N-(2,3-difluorophenyl)-N'-(1,3-dimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)oxamide
CID 146150188
N-(2,3-difluorophenyl)-N'-[1-(2,4-difluorophenyl)ethyl]oxamide
CID 86856670
(2S)-N-(2,4-difluorophenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7415351
1-(2,3-difluorophenyl)-3-(1-ethylpiperidin-4-yl)urea
CID 47456871
N-(2,3-difluorophenyl)-4-(3-methylphenyl)-2-oxopiperidine-3-carboxamide
CID 158374692
N-(2-chlorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 50746949
N-(2,4-difluorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 47109120
3-amino-N-(2,3-difluorophenyl)cyclopentane-1-carboxamide
CID 66009400
(3S,4S)-N-(2,3-difluorophenyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134412113

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(2,3-difluorophenyl)-2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoacetamide (CID 146146796) is N-(2,3-difluorophenyl)-2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2,3-difluorophenyl)-2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(2,3-difluorophenyl)-2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoacetamide is CC1(C)C(c2cccc(F)c2)CCN1C(=O)C(=O)Nc1cccc(F)c1F.
What is the InChIKey of N-(2,3-difluorophenyl)-2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoacetamide?
The InChIKey is ADDQNMVTXDVCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c1-20(2)14(12-5-3-6-13(21)11-12)9-10-25(20)19(27)18(26)24-16-8-4-7-15(22)17(16)23/h3-8,11,14H,9-10H2,1-2H3,(H,24,26).
What are the key properties of N-(2,3-difluorophenyl)-2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoacetamide?
N-(2,3-difluorophenyl)-2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoacetamide has a molecular weight of 376.38 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 146146796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).