1-(2,5-difluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C12H12F2N2O2 — CID 168696695

IUPAC1-(2,5-difluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(F)c(N2CC(C(N)=O)CC2=O)cc1F
InChIInChI=1S/C12H12F2N2O2/c1-6-2-9(14)10(4-8(6)13)16-5-7(12(15)18)3-11(16)17/h2,4,7H,3,5H2,1H3,(H2,15,18)
InChIKeySGTZQFCNQOIASW-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.11
Rot. Bonds2

About 1-(2,5-difluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

1-(2,5-difluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168696695) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168696695
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name1-(2,5-difluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(F)c(N2CC(C(N)=O)CC2=O)cc1F
InChIInChI=1S/C12H12F2N2O2/c1-6-2-9(14)10(4-8(6)13)16-5-7(12(15)18)3-11(16)17/h2,4,7H,3,5H2,1H3,(H2,15,18)
InChIKeySGTZQFCNQOIASW-UHFFFAOYSA-N
XLogP1.11
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697577
5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid
CID 168697665
1-(2-bromo-4,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697672
1-(2,5-difluoro-4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
CID 103587426
1-(2-amino-3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696812
1-(4,5-dichloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696708
1-(2-amino-5-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696923
1-(2-amino-5-bromo-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696736
5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 168697904
1-(2,5-difluoro-4-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684654
1-(2,3-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698402
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylbenzoic acid
CID 168696830

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 168696695) is 1-(2,5-difluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-difluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,5-difluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cc(F)c(N2CC(C(N)=O)CC2=O)cc1F.
What is the InChIKey of 1-(2,5-difluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SGTZQFCNQOIASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c1-6-2-9(14)10(4-8(6)13)16-5-7(12(15)18)3-11(16)17/h2,4,7H,3,5H2,1H3,(H2,15,18).
What are the key properties of 1-(2,5-difluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(2,5-difluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 254.24 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168696695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).