N'-(4-bromo-2-fluorophenyl)-N-(3-methylbutyl)oxamide

C13H16BrFN2O2 — CID 47147984

IUPACN'-(4-bromo-2-fluorophenyl)-N-(3-methylbutyl)oxamide
SMILESCC(C)CCNC(=O)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C13H16BrFN2O2/c1-8(2)5-6-16-12(18)13(19)17-11-4-3-9(14)7-10(11)15/h3-4,7-8H,5-6H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyZCIPYAAZBAIWDU-UHFFFAOYSA-N
MW331.19 g/mol
LogP2.69
Rot. Bonds4

About N'-(4-bromo-2-fluorophenyl)-N-(3-methylbutyl)oxamide

N'-(4-bromo-2-fluorophenyl)-N-(3-methylbutyl)oxamide (PubChem CID 47147984) has the molecular formula C13H16BrFN2O2 and a molecular weight of 331.19 g/mol. Its IUPAC name is N'-(4-bromo-2-fluorophenyl)-N-(3-methylbutyl)oxamide.

Molecular Properties

Compound NameN'-(4-bromo-2-fluorophenyl)-N-(3-methylbutyl)oxamide
PubChem CID47147984
Molecular FormulaC13H16BrFN2O2
Molecular Weight331.19 g/mol
Exact Mass330.04
IUPAC NameN'-(4-bromo-2-fluorophenyl)-N-(3-methylbutyl)oxamide
SMILESCC(C)CCNC(=O)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C13H16BrFN2O2/c1-8(2)5-6-16-12(18)13(19)17-11-4-3-9(14)7-10(11)15/h3-4,7-8H,5-6H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyZCIPYAAZBAIWDU-UHFFFAOYSA-N
XLogP2.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(4-bromo-2-fluorophenyl)-N-(3-methylbutyl)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

2-(4-bromo-2-fluoroanilino)-N-(3-methylbutyl)propanamide
CID 43116655
N-(4-bromo-2-fluorophenyl)-2-oxopropanamide
CID 144805374
N'-(4-bromo-2-fluorophenyl)-N-(3-ethoxypropyl)oxamide
CID 47147953
N'-(2-fluoro-4-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337534
N-(4-bromo-2-fluorophenyl)-3-methylbutanamide
CID 849082
N'-(4-chloro-2-methylphenyl)-N-(3-methylbutyl)oxamide
CID 4066103
N-(4-bromo-2-fluorophenyl)-2-methylbutanamide
CID 4635921
N'-(4-hydroxy-2-methylphenyl)-N-(3-methylbutyl)oxamide
CID 108509660
1-(4-bromo-2-fluorophenyl)-3-(4-methylpentan-2-yl)urea
CID 154969132
N'-(4-bromo-2-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]oxamide
CID 111629813
2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide
CID 78766268
2-amino-N-(4-bromo-2-fluorophenyl)propanamide
CID 24708230

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-2-fluorophenyl)-N-(3-methylbutyl)oxamide?
The IUPAC name of N'-(4-bromo-2-fluorophenyl)-N-(3-methylbutyl)oxamide (CID 47147984) is N'-(4-bromo-2-fluorophenyl)-N-(3-methylbutyl)oxamide.
What is the SMILES notation for N'-(4-bromo-2-fluorophenyl)-N-(3-methylbutyl)oxamide?
The canonical SMILES for N'-(4-bromo-2-fluorophenyl)-N-(3-methylbutyl)oxamide is CC(C)CCNC(=O)C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N'-(4-bromo-2-fluorophenyl)-N-(3-methylbutyl)oxamide?
The InChIKey is ZCIPYAAZBAIWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O2/c1-8(2)5-6-16-12(18)13(19)17-11-4-3-9(14)7-10(11)15/h3-4,7-8H,5-6H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-(4-bromo-2-fluorophenyl)-N-(3-methylbutyl)oxamide?
N'-(4-bromo-2-fluorophenyl)-N-(3-methylbutyl)oxamide has a molecular weight of 331.19 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-2-fluorophenyl)-N-(3-methylbutyl)oxamide is sourced from PubChem (CID 47147984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).