N-(6-bromohexyl)-2-(3-methylphenyl)acetamide

C15H22BrNO — CID 107847492

IUPACN-(6-bromohexyl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCCCCCCBr)c1
InChIInChI=1S/C15H22BrNO/c1-13-7-6-8-14(11-13)12-15(18)17-10-5-3-2-4-9-16/h6-8,11H,2-5,9-10,12H2,1H3,(H,17,18)
InChIKeyVBDGWAWXWSZBGC-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.61
Rot. Bonds8

About N-(6-bromohexyl)-2-(3-methylphenyl)acetamide

N-(6-bromohexyl)-2-(3-methylphenyl)acetamide (PubChem CID 107847492) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-(6-bromohexyl)-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(6-bromohexyl)-2-(3-methylphenyl)acetamide
PubChem CID107847492
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-(6-bromohexyl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCCCCCCBr)c1
InChIInChI=1S/C15H22BrNO/c1-13-7-6-8-14(11-13)12-15(18)17-10-5-3-2-4-9-16/h6-8,11H,2-5,9-10,12H2,1H3,(H,17,18)
InChIKeyVBDGWAWXWSZBGC-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.61
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'}

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Related Compounds

N-(6-bromohexyl)-3-(3-methylphenyl)propanamide
CID 114008578
N-(4-bromobutyl)-2-(3-bromophenyl)acetamide
CID 106845789
N-(3-bromopropyl)-3-(3-methylphenyl)propanamide
CID 62365535
N-(5-bromo-4-methylpentyl)-2-(3-methylphenyl)acetamide
CID 106157270
N-[3-(diethylamino)propyl]-2-(3-methylphenyl)acetamide
CID 127120142
2-(3-methylphenyl)-N-(3-sulfamoylpropyl)acetamide
CID 62388737
N-[2-(diethylamino)ethyl]-2-(3-methylphenyl)acetamide
CID 17144542
N-(5-hydroxy-4-methylpentyl)-2-(3-methylphenyl)acetamide
CID 113340866
N-(5-chloro-4-methylpentyl)-2-(3-methylphenyl)acetamide
CID 114151356
N-(6-bromohexyl)-2-(3,4-difluorophenyl)acetamide
CID 107847518
N-(4-bromo-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide
CID 114149387
N-(6-iodohexyl)-3-(3-methylphenyl)propanamide
CID 107848481

Frequently Asked Questions

What is the IUPAC name of N-(6-bromohexyl)-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(6-bromohexyl)-2-(3-methylphenyl)acetamide (CID 107847492) is N-(6-bromohexyl)-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(6-bromohexyl)-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(6-bromohexyl)-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCCCCCCBr)c1.
What is the InChIKey of N-(6-bromohexyl)-2-(3-methylphenyl)acetamide?
The InChIKey is VBDGWAWXWSZBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-13-7-6-8-14(11-13)12-15(18)17-10-5-3-2-4-9-16/h6-8,11H,2-5,9-10,12H2,1H3,(H,17,18).
What are the key properties of N-(6-bromohexyl)-2-(3-methylphenyl)acetamide?
N-(6-bromohexyl)-2-(3-methylphenyl)acetamide has a molecular weight of 312.25 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromohexyl)-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 107847492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).