N-[4-(bromomethyl)phenyl]-2-methylpentanamide

C13H18BrNO — CID 114310848

IUPACN-[4-(bromomethyl)phenyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccc(CBr)cc1
InChIInChI=1S/C13H18BrNO/c1-3-4-10(2)13(16)15-12-7-5-11(9-14)6-8-12/h5-8,10H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyWGCNNTMKAISJOR-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.96
Rot. Bonds5

About N-[4-(bromomethyl)phenyl]-2-methylpentanamide

N-[4-(bromomethyl)phenyl]-2-methylpentanamide (PubChem CID 114310848) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is N-[4-(bromomethyl)phenyl]-2-methylpentanamide.

Molecular Properties

Compound NameN-[4-(bromomethyl)phenyl]-2-methylpentanamide
PubChem CID114310848
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC NameN-[4-(bromomethyl)phenyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccc(CBr)cc1
InChIInChI=1S/C13H18BrNO/c1-3-4-10(2)13(16)15-12-7-5-11(9-14)6-8-12/h5-8,10H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyWGCNNTMKAISJOR-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[4-(bromomethyl)phenyl]-2-methylpentanamide 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

(2S)-N-(4-acetamidophenyl)-2-methylpentanamide
CID 670216
N-(4-hydroxyphenyl)-2-methylpentanamide
CID 43210200
(2S)-N-[4-(cyanomethyl)phenyl]-2-methylpentanamide
CID 94187740
2-methyl-N-phenylpentanamide
CID 4627801
[amino-[4-(2-methylpentanoylamino)phenyl]methylidene]azanium
CID 21349582
N-methyl-4-(2-methylpentanoylamino)benzamide
CID 75981619
N-(4-carbamothioylphenyl)-2-methylpentanamide
CID 43210162
(2R)-2-methyl-N-(4-sulfamoylphenyl)pentanamide
CID 670213
N-[2-(bromomethyl)phenyl]-2-methylpentanamide
CID 114309617
N-[4-(bromomethyl)phenyl]-2-[[3-methyl-3-(3-methylbutoxy)butanoyl]amino]pentanamide
CID 142243933
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylpentanamide
CID 43210178
N-(3-amino-4-ethylphenyl)-2-methylpentanamide
CID 43550225

Frequently Asked Questions

What is the IUPAC name of N-[4-(bromomethyl)phenyl]-2-methylpentanamide?
The IUPAC name of N-[4-(bromomethyl)phenyl]-2-methylpentanamide (CID 114310848) is N-[4-(bromomethyl)phenyl]-2-methylpentanamide.
What is the SMILES notation for N-[4-(bromomethyl)phenyl]-2-methylpentanamide?
The canonical SMILES for N-[4-(bromomethyl)phenyl]-2-methylpentanamide is CCCC(C)C(=O)Nc1ccc(CBr)cc1.
What is the InChIKey of N-[4-(bromomethyl)phenyl]-2-methylpentanamide?
The InChIKey is WGCNNTMKAISJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-3-4-10(2)13(16)15-12-7-5-11(9-14)6-8-12/h5-8,10H,3-4,9H2,1-2H3,(H,15,16).
What are the key properties of N-[4-(bromomethyl)phenyl]-2-methylpentanamide?
N-[4-(bromomethyl)phenyl]-2-methylpentanamide has a molecular weight of 284.20 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(bromomethyl)phenyl]-2-methylpentanamide is sourced from PubChem (CID 114310848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).