N-(2-bromo-1-phenylethyl)-2-propylpentanamide

C16H24BrNO — CID 82987102

IUPACN-(2-bromo-1-phenylethyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NC(CBr)c1ccccc1
InChIInChI=1S/C16H24BrNO/c1-3-8-14(9-4-2)16(19)18-15(12-17)13-10-6-5-7-11-13/h5-7,10-11,14-15H,3-4,8-9,12H2,1-2H3,(H,18,19)
InChIKeyLHLZHJCAOWONPW-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.46
Rot. Bonds8

About N-(2-bromo-1-phenylethyl)-2-propylpentanamide

N-(2-bromo-1-phenylethyl)-2-propylpentanamide (PubChem CID 82987102) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-(2-bromo-1-phenylethyl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(2-bromo-1-phenylethyl)-2-propylpentanamide
PubChem CID82987102
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-(2-bromo-1-phenylethyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NC(CBr)c1ccccc1
InChIInChI=1S/C16H24BrNO/c1-3-8-14(9-4-2)16(19)18-15(12-17)13-10-6-5-7-11-13/h5-7,10-11,14-15H,3-4,8-9,12H2,1-2H3,(H,18,19)
InChIKeyLHLZHJCAOWONPW-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-bromo-1-phenylethyl)-2-propylpentanamide 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

[(1R)-2-bromo-1-phenylethyl]carbamic acid
CID 146309654
2-chloro-N-(1-phenylpropyl)pentanamide
CID 165438595
N-[cyano(phenyl)methyl]-2-propylpentanamide
CID 82984597
(2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide
CID 2466708
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-propylpentanamide
CID 82984600
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide
CID 113258887
3-(2-aminopentanoylamino)-3-phenylpropanoic acid
CID 61156736
1-phenylbutylurea
CID 2852079
3-bromo-2-(bromomethyl)-N-[(1R)-1-phenylethyl]propanamide
CID 129088961
N-(2-bromo-1-phenylethyl)cyclopropanecarboxamide
CID 114311037
2-bromo-N-[(1R)-1-phenylpropyl]propanamide
CID 165438304
(2S)-3-phenyl-2-(2-propylpentanoylamino)propanoic acid
CID 82984626

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-1-phenylethyl)-2-propylpentanamide?
The IUPAC name of N-(2-bromo-1-phenylethyl)-2-propylpentanamide (CID 82987102) is N-(2-bromo-1-phenylethyl)-2-propylpentanamide.
What is the SMILES notation for N-(2-bromo-1-phenylethyl)-2-propylpentanamide?
The canonical SMILES for N-(2-bromo-1-phenylethyl)-2-propylpentanamide is CCCC(CCC)C(=O)NC(CBr)c1ccccc1.
What is the InChIKey of N-(2-bromo-1-phenylethyl)-2-propylpentanamide?
The InChIKey is LHLZHJCAOWONPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-3-8-14(9-4-2)16(19)18-15(12-17)13-10-6-5-7-11-13/h5-7,10-11,14-15H,3-4,8-9,12H2,1-2H3,(H,18,19).
What are the key properties of N-(2-bromo-1-phenylethyl)-2-propylpentanamide?
N-(2-bromo-1-phenylethyl)-2-propylpentanamide has a molecular weight of 326.28 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-1-phenylethyl)-2-propylpentanamide is sourced from PubChem (CID 82987102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).