N'-(3-bromophenyl)-N-(2-methylpropyl)oxamide

C12H15BrN2O2 — CID 2248971

IUPACN'-(3-bromophenyl)-N-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H15BrN2O2/c1-8(2)7-14-11(16)12(17)15-10-5-3-4-9(13)6-10/h3-6,8H,7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyVBVUBEUBSRZTQF-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.16
Rot. Bonds3

About N'-(3-bromophenyl)-N-(2-methylpropyl)oxamide

N'-(3-bromophenyl)-N-(2-methylpropyl)oxamide (PubChem CID 2248971) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is N'-(3-bromophenyl)-N-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-(3-bromophenyl)-N-(2-methylpropyl)oxamide
PubChem CID2248971
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC NameN'-(3-bromophenyl)-N-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H15BrN2O2/c1-8(2)7-14-11(16)12(17)15-10-5-3-4-9(13)6-10/h3-6,8H,7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyVBVUBEUBSRZTQF-UHFFFAOYSA-N
XLogP2.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(3-bromophenyl)-N-(2-methylpropyl)oxamide 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

N'-(3-bromophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669914
N'-(3-hydroxyphenyl)-N-(2-methylpropyl)oxamide
CID 45000278
(2S)-2-(3-bromoanilino)-N-(2-methylpropyl)propanamide
CID 28840479
N-(3-bromophenyl)-N'-[(1S)-1-phenylethyl]oxamide
CID 2249399
N'-(3-bromophenyl)-N-(3-hydroxypropyl)oxamide
CID 568365
N-(2-methylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide
CID 51054016
N'-(3,4-dimethylphenyl)-N-(2-methylpropyl)oxamide
CID 3832963
N'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide
CID 47225795
2-N-(3-bromophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079716
N'-(3-bromophenyl)-N-(4-ethylphenyl)oxamide
CID 108522318
N-(3-bromophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511493
(2R)-N-(3-bromophenyl)-2-methylbutanamide
CID 670010

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromophenyl)-N-(2-methylpropyl)oxamide?
The IUPAC name of N'-(3-bromophenyl)-N-(2-methylpropyl)oxamide (CID 2248971) is N'-(3-bromophenyl)-N-(2-methylpropyl)oxamide.
What is the SMILES notation for N'-(3-bromophenyl)-N-(2-methylpropyl)oxamide?
The canonical SMILES for N'-(3-bromophenyl)-N-(2-methylpropyl)oxamide is CC(C)CNC(=O)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N'-(3-bromophenyl)-N-(2-methylpropyl)oxamide?
The InChIKey is VBVUBEUBSRZTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-8(2)7-14-11(16)12(17)15-10-5-3-4-9(13)6-10/h3-6,8H,7H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N'-(3-bromophenyl)-N-(2-methylpropyl)oxamide?
N'-(3-bromophenyl)-N-(2-methylpropyl)oxamide has a molecular weight of 299.17 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromophenyl)-N-(2-methylpropyl)oxamide is sourced from PubChem (CID 2248971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).