3-amino-N-(3-bromo-4-nitrophenyl)-4,4-dimethylpentanamide

C13H18BrN3O3 — CID 82864988

IUPAC3-amino-N-(3-bromo-4-nitrophenyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)C(N)CC(=O)Nc1ccc([N+](=O)[O-])c(Br)c1
InChIInChI=1S/C13H18BrN3O3/c1-13(2,3)11(15)7-12(18)16-8-4-5-10(17(19)20)9(14)6-8/h4-6,11H,7,15H2,1-3H3,(H,16,18)
InChIKeyGNGXSVLDLPZJHE-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.06
Rot. Bonds4

About 3-amino-N-(3-bromo-4-nitrophenyl)-4,4-dimethylpentanamide

3-amino-N-(3-bromo-4-nitrophenyl)-4,4-dimethylpentanamide (PubChem CID 82864988) has the molecular formula C13H18BrN3O3 and a molecular weight of 344.21 g/mol. Its IUPAC name is 3-amino-N-(3-bromo-4-nitrophenyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name3-amino-N-(3-bromo-4-nitrophenyl)-4,4-dimethylpentanamide
PubChem CID82864988
Molecular FormulaC13H18BrN3O3
Molecular Weight344.21 g/mol
Exact Mass343.05
IUPAC Name3-amino-N-(3-bromo-4-nitrophenyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)C(N)CC(=O)Nc1ccc([N+](=O)[O-])c(Br)c1
InChIInChI=1S/C13H18BrN3O3/c1-13(2,3)11(15)7-12(18)16-8-4-5-10(17(19)20)9(14)6-8/h4-6,11H,7,15H2,1-3H3,(H,16,18)
InChIKeyGNGXSVLDLPZJHE-UHFFFAOYSA-N
XLogP3.06
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-amino-N-(3-bromo-4-nitrophenyl)-4,4-dimethylpentanamide 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-bromo-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605620
(2S)-2-amino-N-(3-bromo-4-nitrophenyl)propanamide
CID 82864467
N-(3-bromo-4-nitrophenyl)-2-methylsulfanylacetamide
CID 75446808
2-amino-N-(3-bromo-4-nitrophenyl)-3-methoxypropanamide
CID 82864686
6-(3-bromo-4-nitroanilino)-6-oxohexanoic acid
CID 82861673
N-(3-bromo-4-nitrophenyl)-5-hydroxypentanamide
CID 82865508
N-(3-bromo-4-nitrophenyl)-5-chloropentanamide
CID 82864603
N-(3-bromo-4-nitrophenyl)-3-chloro-2-methylpropanamide
CID 82864604
2-amino-N-(3-bromo-4-nitrophenyl)-5-methoxypentanamide
CID 82864395
2-(aminomethyl)-N-(3-bromo-4-nitrophenyl)pentanamide
CID 82864613
3-amino-N-(3-bromo-5-methoxyphenyl)-4,4-dimethylpentanamide
CID 82868226
3-amino-N-(3-bromo-4-nitrophenyl)benzamide
CID 82864982

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-bromo-4-nitrophenyl)-4,4-dimethylpentanamide?
The IUPAC name of 3-amino-N-(3-bromo-4-nitrophenyl)-4,4-dimethylpentanamide (CID 82864988) is 3-amino-N-(3-bromo-4-nitrophenyl)-4,4-dimethylpentanamide.
What is the SMILES notation for 3-amino-N-(3-bromo-4-nitrophenyl)-4,4-dimethylpentanamide?
The canonical SMILES for 3-amino-N-(3-bromo-4-nitrophenyl)-4,4-dimethylpentanamide is CC(C)(C)C(N)CC(=O)Nc1ccc([N+](=O)[O-])c(Br)c1.
What is the InChIKey of 3-amino-N-(3-bromo-4-nitrophenyl)-4,4-dimethylpentanamide?
The InChIKey is GNGXSVLDLPZJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O3/c1-13(2,3)11(15)7-12(18)16-8-4-5-10(17(19)20)9(14)6-8/h4-6,11H,7,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-N-(3-bromo-4-nitrophenyl)-4,4-dimethylpentanamide?
3-amino-N-(3-bromo-4-nitrophenyl)-4,4-dimethylpentanamide has a molecular weight of 344.21 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-bromo-4-nitrophenyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 82864988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).