1-(2,4-dibromo-5-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C12H12Br2N2O3 — CID 168696507

IUPAC1-(2,4-dibromo-5-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(N2CC(C(N)=O)CC2=O)c(Br)cc1Br
InChIInChI=1S/C12H12Br2N2O3/c1-19-10-4-9(7(13)3-8(10)14)16-5-6(12(15)18)2-11(16)17/h3-4,6H,2,5H2,1H3,(H2,15,18)
InChIKeyJLCOGISFLFVSTK-UHFFFAOYSA-N
MW392.05 g/mol
LogP2.06
Rot. Bonds3

About 1-(2,4-dibromo-5-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

1-(2,4-dibromo-5-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168696507) has the molecular formula C12H12Br2N2O3 and a molecular weight of 392.05 g/mol. Its IUPAC name is 1-(2,4-dibromo-5-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dibromo-5-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168696507
Molecular FormulaC12H12Br2N2O3
Molecular Weight392.05 g/mol
Exact Mass389.92
IUPAC Name1-(2,4-dibromo-5-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(N2CC(C(N)=O)CC2=O)c(Br)cc1Br
InChIInChI=1S/C12H12Br2N2O3/c1-19-10-4-9(7(13)3-8(10)14)16-5-6(12(15)18)2-11(16)17/h3-4,6H,2,5H2,1H3,(H2,15,18)
InChIKeyJLCOGISFLFVSTK-UHFFFAOYSA-N
XLogP2.06
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.05
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-chloro-2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94075985
1-(2-bromo-4,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697672
1-(5-carbamoyl-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 50873701
1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 50874085
1-(2-amino-5-bromo-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696736
1-(2-bromo-4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696281
1-(4-bromo-2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697577
1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696566
1-(2-amino-5-bromo-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696869
1-(2-amino-5-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696923
1-[2-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697662
4-(azidomethyl)-1-(2,4-dibromo-5-methoxyphenyl)pyrrolidin-2-one
CID 168656397

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromo-5-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,4-dibromo-5-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 168696507) is 1-(2,4-dibromo-5-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,4-dibromo-5-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,4-dibromo-5-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cc(N2CC(C(N)=O)CC2=O)c(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromo-5-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JLCOGISFLFVSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N2O3/c1-19-10-4-9(7(13)3-8(10)14)16-5-6(12(15)18)2-11(16)17/h3-4,6H,2,5H2,1H3,(H2,15,18).
What are the key properties of 1-(2,4-dibromo-5-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(2,4-dibromo-5-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 392.05 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromo-5-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168696507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).