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

C12H12Cl2N2O2 — CID 168696708

IUPAC1-(4,5-dichloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(Cl)c(Cl)cc1N1CC(C(N)=O)CC1=O
InChIInChI=1S/C12H12Cl2N2O2/c1-6-2-8(13)9(14)4-10(6)16-5-7(12(15)18)3-11(16)17/h2,4,7H,3,5H2,1H3,(H2,15,18)
InChIKeyKNRWBAWTQNZNKH-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.14
Rot. Bonds2

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

1-(4,5-dichloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168696708) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is 1-(4,5-dichloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4,5-dichloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168696708
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC Name1-(4,5-dichloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(Cl)c(Cl)cc1N1CC(C(N)=O)CC1=O
InChIInChI=1S/C12H12Cl2N2O2/c1-6-2-8(13)9(14)4-10(6)16-5-7(12(15)18)3-11(16)17/h2,4,7H,3,5H2,1H3,(H2,15,18)
InChIKeyKNRWBAWTQNZNKH-UHFFFAOYSA-N
XLogP2.14
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichloro-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697676
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807
1-(2-amino-3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696812
1-(2-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698272
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylbenzoic acid
CID 168696830
4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-methylbenzoic acid
CID 168696744
1-(2,5-difluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696695
(3S)-1-(4-chloro-2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94075985
1-(5-acetyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696136
(3S)-1-(4-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94076113
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

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dichloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4,5-dichloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 168696708) is 1-(4,5-dichloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4,5-dichloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4,5-dichloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cc(Cl)c(Cl)cc1N1CC(C(N)=O)CC1=O.
What is the InChIKey of 1-(4,5-dichloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KNRWBAWTQNZNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2/c1-6-2-8(13)9(14)4-10(6)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-(4,5-dichloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(4,5-dichloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 287.15 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dichloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168696708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).