N-(3-bromopropyl)-3-(2-methylphenyl)propanamide

C13H18BrNO — CID 62365536

IUPACN-(3-bromopropyl)-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)NCCCBr
InChIInChI=1S/C13H18BrNO/c1-11-5-2-3-6-12(11)7-8-13(16)15-10-4-9-14/h2-3,5-6H,4,7-10H2,1H3,(H,15,16)
InChIKeyAUTNQGYDZMAPHV-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.83
Rot. Bonds6

About N-(3-bromopropyl)-3-(2-methylphenyl)propanamide

N-(3-bromopropyl)-3-(2-methylphenyl)propanamide (PubChem CID 62365536) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is N-(3-bromopropyl)-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-3-(2-methylphenyl)propanamide
PubChem CID62365536
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC NameN-(3-bromopropyl)-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)NCCCBr
InChIInChI=1S/C13H18BrNO/c1-11-5-2-3-6-12(11)7-8-13(16)15-10-4-9-14/h2-3,5-6H,4,7-10H2,1H3,(H,15,16)
InChIKeyAUTNQGYDZMAPHV-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(3-bromopropyl)-3-(2-methylphenyl)propanamide 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-iodopropyl)-3-(2-methylphenyl)propanamide
CID 114504156
N-(2-aminoethyl)-3-(2-methylphenyl)propanamide
CID 62367065
N-[3-[(2-cyanoacetyl)amino]propyl]-3-(2-methylphenyl)propanamide
CID 108924383
N-(5-hydroxy-4-methylpentyl)-3-(2-methylphenyl)propanamide
CID 103862326
tert-butyl N-[3-[3-[3-(2-methylphenyl)propanoylamino]propylamino]-3-oxopropyl]carbamate
CID 108921680
5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 78911171
N-[2-(2-methylphenyl)ethyl]-3-sulfanylpropanamide
CID 107032245
3-(2-methylphenyl)-N-(2-methylpropyl)propanamide
CID 63283832
2-[3-(2-methylphenyl)propanoylamino]ethanethioic S-acid
CID 3036184
4-[2-[3-(2-methylphenyl)propanoylamino]ethyl]benzoic acid
CID 119168685
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871
N-[2-(2-methylphenyl)ethyl]-5-phenylpentanamide
CID 118398399

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-3-(2-methylphenyl)propanamide?
The IUPAC name of N-(3-bromopropyl)-3-(2-methylphenyl)propanamide (CID 62365536) is N-(3-bromopropyl)-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-(3-bromopropyl)-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-(3-bromopropyl)-3-(2-methylphenyl)propanamide is Cc1ccccc1CCC(=O)NCCCBr.
What is the InChIKey of N-(3-bromopropyl)-3-(2-methylphenyl)propanamide?
The InChIKey is AUTNQGYDZMAPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-11-5-2-3-6-12(11)7-8-13(16)15-10-4-9-14/h2-3,5-6H,4,7-10H2,1H3,(H,15,16).
What are the key properties of N-(3-bromopropyl)-3-(2-methylphenyl)propanamide?
N-(3-bromopropyl)-3-(2-methylphenyl)propanamide has a molecular weight of 284.20 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 62365536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).