N-[4-(2-bromo-4-methylpentyl)phenyl]acetamide

C14H20BrNO — CID 82255063

IUPACN-[4-(2-bromo-4-methylpentyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(Br)CC(C)C)cc1
InChIInChI=1S/C14H20BrNO/c1-10(2)8-13(15)9-12-4-6-14(7-5-12)16-11(3)17/h4-7,10,13H,8-9H2,1-3H3,(H,16,17)
InChIKeyVBEVSYZMSGYRHH-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.00
Rot. Bonds5

About N-[4-(2-bromo-4-methylpentyl)phenyl]acetamide

N-[4-(2-bromo-4-methylpentyl)phenyl]acetamide (PubChem CID 82255063) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is N-[4-(2-bromo-4-methylpentyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-bromo-4-methylpentyl)phenyl]acetamide
PubChem CID82255063
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC NameN-[4-(2-bromo-4-methylpentyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(Br)CC(C)C)cc1
InChIInChI=1S/C14H20BrNO/c1-10(2)8-13(15)9-12-4-6-14(7-5-12)16-11(3)17/h4-7,10,13H,8-9H2,1-3H3,(H,16,17)
InChIKeyVBEVSYZMSGYRHH-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[4-(2-bromo-4-methylpentyl)phenyl]acetamide 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-[4-(2-bromo-4-methylpentyl)phenyl]butanamide
CID 82259537
N-[3-(2-bromo-4-methylpentyl)phenyl]acetamide
CID 82255064
4-(4-acetamidophenyl)-3-bromobutanoic acid
CID 82351983
N-[4-[(2-bromo-4-methylpentyl)sulfamoyl]phenyl]acetamide
CID 107158226
N-[4-(2-bromopentyl)phenyl]-3-methylbutanamide
CID 82259405
[4-(2-methylpropyl)phenyl]carbamic acid
CID 115170610
N-[4-[(2S)-2-amino-3-fluoropropyl]phenyl]acetamide
CID 71050354
(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-4-methylpentanamide
CID 104903275
N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905
N-[4-(2-methylpropyl)phenyl]carbamoyl chloride
CID 115194334
[4-(2-methylpropyl)phenyl]carbamothioic S-acid
CID 115169658
(2S)-N-[2-(4-acetamidophenyl)ethyl]-2-amino-4-methylpentanamide
CID 119755566

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromo-4-methylpentyl)phenyl]acetamide?
The IUPAC name of N-[4-(2-bromo-4-methylpentyl)phenyl]acetamide (CID 82255063) is N-[4-(2-bromo-4-methylpentyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-bromo-4-methylpentyl)phenyl]acetamide?
The canonical SMILES for N-[4-(2-bromo-4-methylpentyl)phenyl]acetamide is CC(=O)Nc1ccc(CC(Br)CC(C)C)cc1.
What is the InChIKey of N-[4-(2-bromo-4-methylpentyl)phenyl]acetamide?
The InChIKey is VBEVSYZMSGYRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-10(2)8-13(15)9-12-4-6-14(7-5-12)16-11(3)17/h4-7,10,13H,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-[4-(2-bromo-4-methylpentyl)phenyl]acetamide?
N-[4-(2-bromo-4-methylpentyl)phenyl]acetamide has a molecular weight of 298.22 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromo-4-methylpentyl)phenyl]acetamide is sourced from PubChem (CID 82255063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).