N-benzyl-2-bromo-N-hexylacetamide

C15H22BrNO — CID 68872277

IUPACN-benzyl-2-bromo-N-hexylacetamide
SMILESCCCCCCN(Cc1ccccc1)C(=O)CBr
InChIInChI=1S/C15H22BrNO/c1-2-3-4-8-11-17(15(18)12-16)13-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3
InChIKeyZBCPPTWRKDSZJJ-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.99
Rot. Bonds8

About N-benzyl-2-bromo-N-hexylacetamide

N-benzyl-2-bromo-N-hexylacetamide (PubChem CID 68872277) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-benzyl-2-bromo-N-hexylacetamide.

Molecular Properties

Compound NameN-benzyl-2-bromo-N-hexylacetamide
PubChem CID68872277
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-benzyl-2-bromo-N-hexylacetamide
SMILESCCCCCCN(Cc1ccccc1)C(=O)CBr
InChIInChI=1S/C15H22BrNO/c1-2-3-4-8-11-17(15(18)12-16)13-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3
InChIKeyZBCPPTWRKDSZJJ-UHFFFAOYSA-N
XLogP3.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.99
H-Bond Donors ≤ 50
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-benzyl-2-(dimethylamino)-N-dodecylacetamide
CID 172759301
N-benzyl-N-butylpropanamide
CID 12502571
N-benzyl-N-dodecyl-2-methylprop-2-enamide
CID 141486609
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
N-benzyl-N-pentylprop-2-enamide
CID 176825792
N-benzyl-N-butyl-4-hydroxybutanamide
CID 139706995
N,N-dihexyl-3-phenylpropanamide
CID 532921
N,N-dibenzyldodecan-1-amine
CID 11508874
N-benzyl-2-(3-fluoro-4-hydroxyphenyl)-N-hexylacetamide
CID 68871257
3-[benzyl(pentanoyl)amino]propanoic acid
CID 82323494
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
2-[[benzyl(pentyl)carbamoyl]amino]acetic acid
CID 70441420

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromo-N-hexylacetamide?
The IUPAC name of N-benzyl-2-bromo-N-hexylacetamide (CID 68872277) is N-benzyl-2-bromo-N-hexylacetamide.
What is the SMILES notation for N-benzyl-2-bromo-N-hexylacetamide?
The canonical SMILES for N-benzyl-2-bromo-N-hexylacetamide is CCCCCCN(Cc1ccccc1)C(=O)CBr.
What is the InChIKey of N-benzyl-2-bromo-N-hexylacetamide?
The InChIKey is ZBCPPTWRKDSZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-2-3-4-8-11-17(15(18)12-16)13-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3.
What are the key properties of N-benzyl-2-bromo-N-hexylacetamide?
N-benzyl-2-bromo-N-hexylacetamide has a molecular weight of 312.25 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromo-N-hexylacetamide is sourced from PubChem (CID 68872277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).