1-[2-(3,4-difluorophenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide

C15H18F2N2O2 — CID 106319121

IUPAC1-[2-(3,4-difluorophenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(CC(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H18F2N2O2/c1-15(14(21)18-2)5-6-19(9-15)8-13(20)10-3-4-11(16)12(17)7-10/h3-4,7H,5-6,8-9H2,1-2H3,(H,18,21)
InChIKeyURZHNHCFWYNLLS-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.61
Rot. Bonds4

About 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide

1-[2-(3,4-difluorophenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106319121) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106319121
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name1-[2-(3,4-difluorophenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(CC(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H18F2N2O2/c1-15(14(21)18-2)5-6-19(9-15)8-13(20)10-3-4-11(16)12(17)7-10/h3-4,7H,5-6,8-9H2,1-2H3,(H,18,21)
InChIKeyURZHNHCFWYNLLS-UHFFFAOYSA-N
XLogP1.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106319161
1-(3,4-difluorophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63634971
1-(3,4-difluorophenyl)-2-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107405385
1-(3,4-difluorophenyl)-2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethanone
CID 107456968
N,3-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-3-carboxamide
CID 106319127
2-fluoro-4-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 106318976
1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322065
1-[2-(3,4-difluorophenyl)-2-oxoethyl]piperidin-4-one
CID 62050662
4-[2-(3,4-difluorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83101984
3-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 106318978
1-[[3-(aminomethyl)-5-fluorophenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317892
1-(3,4-difluorophenyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 54976721

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide (CID 106319121) is 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(CC(=O)c2ccc(F)c(F)c2)C1.
What is the InChIKey of 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is URZHNHCFWYNLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-15(14(21)18-2)5-6-19(9-15)8-13(20)10-3-4-11(16)12(17)7-10/h3-4,7H,5-6,8-9H2,1-2H3,(H,18,21).
What are the key properties of 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide?
1-[2-(3,4-difluorophenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 296.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106319121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).