1-(2,3-difluorophenyl)-5-oxopyrrolidine-3-carboxamide

C11H10F2N2O2 — CID 168698402

IUPAC1-(2,3-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cccc(F)c2F)C1
InChIInChI=1S/C11H10F2N2O2/c12-7-2-1-3-8(10(7)13)15-5-6(11(14)17)4-9(15)16/h1-3,6H,4-5H2,(H2,14,17)
InChIKeySTWFBSYMKMCMGY-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.80
Rot. Bonds2

About 1-(2,3-difluorophenyl)-5-oxopyrrolidine-3-carboxamide

1-(2,3-difluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168698402) has the molecular formula C11H10F2N2O2 and a molecular weight of 240.21 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168698402
Molecular FormulaC11H10F2N2O2
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name1-(2,3-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cccc(F)c2F)C1
InChIInChI=1S/C11H10F2N2O2/c12-7-2-1-3-8(10(7)13)15-5-6(11(14)17)4-9(15)16/h1-3,6H,4-5H2,(H2,14,17)
InChIKeySTWFBSYMKMCMGY-UHFFFAOYSA-N
XLogP0.80
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168698399
4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2,3-difluorobenzoic acid
CID 168698325
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807
1-[2-(aminomethyl)-3-fluorophenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691423
5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 168697904
1-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697394
1-(2-bromo-4,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697672
1-(4-bromo-2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697577
1-(2-cyclopropylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698149
(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238
1-(2,5-difluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696695
5-oxo-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidine-3-carboxamide
CID 168698429

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-difluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 168698402) is 1-(2,3-difluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-difluorophenyl)-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2cccc(F)c2F)C1.
What is the InChIKey of 1-(2,3-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is STWFBSYMKMCMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2/c12-7-2-1-3-8(10(7)13)15-5-6(11(14)17)4-9(15)16/h1-3,6H,4-5H2,(H2,14,17).
What are the key properties of 1-(2,3-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
1-(2,3-difluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 240.21 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168698402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).