2-bromo-3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide

C13H15BrN2O2 — CID 103855167

IUPAC2-bromo-3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
SMILESCc1cccc(C(=O)NC2CCN(C)C2=O)c1Br
InChIInChI=1S/C13H15BrN2O2/c1-8-4-3-5-9(11(8)14)12(17)15-10-6-7-16(2)13(10)18/h3-5,10H,6-7H2,1-2H3,(H,15,17)
InChIKeyDPMMAIISKIPHHZ-UHFFFAOYSA-N
MW311.18 g/mol
LogP1.72
Rot. Bonds2

About 2-bromo-3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide

2-bromo-3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide (PubChem CID 103855167) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
PubChem CID103855167
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name2-bromo-3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
SMILESCc1cccc(C(=O)NC2CCN(C)C2=O)c1Br
InChIInChI=1S/C13H15BrN2O2/c1-8-4-3-5-9(11(8)14)12(17)15-10-6-7-16(2)13(10)18/h3-5,10H,6-7H2,1-2H3,(H,15,17)
InChIKeyDPMMAIISKIPHHZ-UHFFFAOYSA-N
XLogP1.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
The IUPAC name of 2-bromo-3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide (CID 103855167) is 2-bromo-3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide.
What is the SMILES notation for 2-bromo-3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
The canonical SMILES for 2-bromo-3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide is Cc1cccc(C(=O)NC2CCN(C)C2=O)c1Br.
What is the InChIKey of 2-bromo-3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
The InChIKey is DPMMAIISKIPHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-8-4-3-5-9(11(8)14)12(17)15-10-6-7-16(2)13(10)18/h3-5,10H,6-7H2,1-2H3,(H,15,17).
What are the key properties of 2-bromo-3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
2-bromo-3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide has a molecular weight of 311.18 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide is sourced from PubChem (CID 103855167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).