2-bromo-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]butanamide

C15H19BrN2O2 — CID 61250864

IUPAC2-bromo-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]butanamide
SMILESCC(C)C(Br)C(=O)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C15H19BrN2O2/c1-10(2)14(16)15(20)17-11-6-3-4-7-12(11)18-9-5-8-13(18)19/h3-4,6-7,10,14H,5,8-9H2,1-2H3,(H,17,20)
InChIKeyBSWFQYVPOCDPHS-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.17
Rot. Bonds4

About 2-bromo-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]butanamide

2-bromo-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]butanamide (PubChem CID 61250864) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]butanamide
PubChem CID61250864
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name2-bromo-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]butanamide
SMILESCC(C)C(Br)C(=O)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C15H19BrN2O2/c1-10(2)14(16)15(20)17-11-6-3-4-7-12(11)18-9-5-8-13(18)19/h3-4,6-7,10,14H,5,8-9H2,1-2H3,(H,17,20)
InChIKeyBSWFQYVPOCDPHS-UHFFFAOYSA-N
XLogP3.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-bromo-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]butanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46616352
1-[(1S)-2-methyl-1-phenylpropyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 51945595
(2R)-2-amino-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
CID 103794249
(2S)-2-amino-4-methylsulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 61274381
2-(3-chlorophenoxy)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 16566801
1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 55699121
N-[2-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 18166596
2-(methylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 119693883
2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pent-2-enamide
CID 76885109
2-bromo-N-(2-hydroxyphenyl)-3-methylbutanamide
CID 14234666
5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
CID 107909776
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 112722701

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]butanamide?
The IUPAC name of 2-bromo-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]butanamide (CID 61250864) is 2-bromo-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]butanamide.
What is the SMILES notation for 2-bromo-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]butanamide?
The canonical SMILES for 2-bromo-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]butanamide is CC(C)C(Br)C(=O)Nc1ccccc1N1CCCC1=O.
What is the InChIKey of 2-bromo-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]butanamide?
The InChIKey is BSWFQYVPOCDPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-10(2)14(16)15(20)17-11-6-3-4-7-12(11)18-9-5-8-13(18)19/h3-4,6-7,10,14H,5,8-9H2,1-2H3,(H,17,20).
What are the key properties of 2-bromo-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]butanamide?
2-bromo-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]butanamide has a molecular weight of 339.23 g/mol, XLogP of 3.17, 4 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-[2-(2-oxopyrrolidin-1-yl)phenyl]butanamide is sourced from PubChem (CID 61250864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).