2-(3-bromophenyl)-N-hexylpropanamide

C15H22BrNO — CID 176514304

IUPAC2-(3-bromophenyl)-N-hexylpropanamide
SMILESCCCCCCNC(=O)C(C)c1cccc(Br)c1
InChIInChI=1S/C15H22BrNO/c1-3-4-5-6-10-17-15(18)12(2)13-8-7-9-14(16)11-13/h7-9,11-12H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyOEYHZVFVHMYGOO-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.25
Rot. Bonds7

About 2-(3-bromophenyl)-N-hexylpropanamide

2-(3-bromophenyl)-N-hexylpropanamide (PubChem CID 176514304) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-hexylpropanamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-hexylpropanamide
PubChem CID176514304
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name2-(3-bromophenyl)-N-hexylpropanamide
SMILESCCCCCCNC(=O)C(C)c1cccc(Br)c1
InChIInChI=1S/C15H22BrNO/c1-3-4-5-6-10-17-15(18)12(2)13-8-7-9-14(16)11-13/h7-9,11-12H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyOEYHZVFVHMYGOO-UHFFFAOYSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(3-bromophenyl)-N-hexylpropanamide 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

2-(3,4-dihydroxyphenyl)-N-octylpropanamide
CID 139641564
2-(3,4-dihydroxyphenyl)-N-hexylpropanamide
CID 67829900
3-bromo-N-dodecylbenzamide
CID 603918
N-butyl-2-phenylpropanamide
CID 101453557
2-(3-bromophenyl)propanehydrazide
CID 116843936
2-(3-bromophenyl)-N',N'-dimethylpropanehydrazide
CID 116848149
[2-acetyloxy-4-[1-(decylamino)-1-oxopropan-2-yl]phenyl] acetate
CID 139641573
[2-acetyloxy-4-[1-(octylamino)-1-oxopropan-2-yl]phenyl] acetate
CID 139641581
octyl 2-[1-(3-bromophenyl)ethylamino]-2-oxoacetate
CID 71348751
(2S)-2-amino-N-decyl-2-phenylacetamide
CID 104898142
N,N'-dihexyl-2-phenylpropanediamide
CID 3396321
N-dodecyl-2,2-diphenylacetamide
CID 5143289

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-hexylpropanamide?
The IUPAC name of 2-(3-bromophenyl)-N-hexylpropanamide (CID 176514304) is 2-(3-bromophenyl)-N-hexylpropanamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-hexylpropanamide?
The canonical SMILES for 2-(3-bromophenyl)-N-hexylpropanamide is CCCCCCNC(=O)C(C)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-hexylpropanamide?
The InChIKey is OEYHZVFVHMYGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-3-4-5-6-10-17-15(18)12(2)13-8-7-9-14(16)11-13/h7-9,11-12H,3-6,10H2,1-2H3,(H,17,18).
What are the key properties of 2-(3-bromophenyl)-N-hexylpropanamide?
2-(3-bromophenyl)-N-hexylpropanamide has a molecular weight of 312.25 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-hexylpropanamide is sourced from PubChem (CID 176514304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).