N-[1-(4-bromophenyl)ethyl]-N-methylbutanamide

C13H18BrNO — CID 166191857

IUPACN-[1-(4-bromophenyl)ethyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)C(C)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO/c1-4-5-13(16)15(3)10(2)11-6-8-12(14)9-7-11/h6-10H,4-5H2,1-3H3
InChIKeyQXPFFTPIKALDHI-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.77
Rot. Bonds4

About N-[1-(4-bromophenyl)ethyl]-N-methylbutanamide

N-[1-(4-bromophenyl)ethyl]-N-methylbutanamide (PubChem CID 166191857) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-N-methylbutanamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-N-methylbutanamide
PubChem CID166191857
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC NameN-[1-(4-bromophenyl)ethyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)C(C)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO/c1-4-5-13(16)15(3)10(2)11-6-8-12(14)9-7-11/h6-10H,4-5H2,1-3H3
InChIKeyQXPFFTPIKALDHI-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[1-(4-bromophenyl)ethyl]-N-methylbutanamide 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-[1-(4-hydroxyphenyl)ethyl]-N-methylpentanamide
CID 61042848
N-[1-(4-hydroxyphenyl)ethyl]-N-methylhexanamide
CID 54912821
5-(4-bromophenyl)-N-methyl-5-oxo-N-(1-pyridin-4-ylethyl)pentanamide
CID 119035965
2-(4-bromophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 42919756
N-[1-(4-bromophenyl)ethyl]-N-methylcyclopropanecarboxamide
CID 163259808
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide
CID 75870203
4-bromo-N-methyl-N-pentan-2-ylbenzamide
CID 43430203
2-[1-(4-bromophenyl)ethyl-propylamino]acetic acid
CID 65064536
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide
CID 54870716
N-[1-(3,4-difluorophenyl)ethyl]-N-methylhexanamide
CID 86918334
6-[1-(4-fluorophenyl)ethyl-methylamino]-6-oxohexanoic acid
CID 60952600
N-(1-aminopropan-2-yl)-3-(4-bromophenyl)sulfanyl-N-methylpropanamide;hydrochloride
CID 119585352

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-N-methylbutanamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-N-methylbutanamide (CID 166191857) is N-[1-(4-bromophenyl)ethyl]-N-methylbutanamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-N-methylbutanamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-N-methylbutanamide is CCCC(=O)N(C)C(C)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-N-methylbutanamide?
The InChIKey is QXPFFTPIKALDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-4-5-13(16)15(3)10(2)11-6-8-12(14)9-7-11/h6-10H,4-5H2,1-3H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-N-methylbutanamide?
N-[1-(4-bromophenyl)ethyl]-N-methylbutanamide has a molecular weight of 284.20 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-N-methylbutanamide is sourced from PubChem (CID 166191857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).