N-(2-bromo-3-ethylpentyl)-2-ethoxybenzamide

C16H24BrNO2 — CID 106288292

IUPACN-(2-bromo-3-ethylpentyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(Br)C(CC)CC
InChIInChI=1S/C16H24BrNO2/c1-4-12(5-2)14(17)11-18-16(19)13-9-7-8-10-15(13)20-6-3/h7-10,12,14H,4-6,11H2,1-3H3,(H,18,19)
InChIKeyLWMVJARAKDCOTJ-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.01
Rot. Bonds8

About N-(2-bromo-3-ethylpentyl)-2-ethoxybenzamide

N-(2-bromo-3-ethylpentyl)-2-ethoxybenzamide (PubChem CID 106288292) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is N-(2-bromo-3-ethylpentyl)-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(2-bromo-3-ethylpentyl)-2-ethoxybenzamide
PubChem CID106288292
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC NameN-(2-bromo-3-ethylpentyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(Br)C(CC)CC
InChIInChI=1S/C16H24BrNO2/c1-4-12(5-2)14(17)11-18-16(19)13-9-7-8-10-15(13)20-6-3/h7-10,12,14H,4-6,11H2,1-3H3,(H,18,19)
InChIKeyLWMVJARAKDCOTJ-UHFFFAOYSA-N
XLogP4.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2-bromo-3-ethylpentyl)benzamide
CID 114168800
N-[(2S)-3,3-dimethyl-2-methylsulfanylbutyl]-2-ethoxybenzamide
CID 97350853
N-(4-chloro-2-ethylbutyl)-2-ethoxybenzamide
CID 114306598
N-(3-aminobutyl)-2-ethoxybenzamide
CID 63253543
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
2-[(2-ethoxybenzoyl)amino]-N-(2-methylpropyl)benzamide
CID 37003750
N-(2-chloro-4,4-dimethylpentyl)-2-ethoxybenzamide
CID 107157094
N-(3-bromo-4-methoxybutyl)-2-ethoxybenzamide
CID 106245092
2-ethoxy-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide
CID 95336956
N-(3-amino-2,2-dimethylpropyl)-2-ethoxybenzamide
CID 115365704
1-(2-ethoxyphenyl)-3-ethyl-2-hydroxypentan-1-one
CID 103458596
2-ethoxy-N-[2-(furan-2-yl)-2-methoxyethyl]benzamide
CID 121145492

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-ethylpentyl)-2-ethoxybenzamide?
The IUPAC name of N-(2-bromo-3-ethylpentyl)-2-ethoxybenzamide (CID 106288292) is N-(2-bromo-3-ethylpentyl)-2-ethoxybenzamide.
What is the SMILES notation for N-(2-bromo-3-ethylpentyl)-2-ethoxybenzamide?
The canonical SMILES for N-(2-bromo-3-ethylpentyl)-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCC(Br)C(CC)CC.
What is the InChIKey of N-(2-bromo-3-ethylpentyl)-2-ethoxybenzamide?
The InChIKey is LWMVJARAKDCOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-4-12(5-2)14(17)11-18-16(19)13-9-7-8-10-15(13)20-6-3/h7-10,12,14H,4-6,11H2,1-3H3,(H,18,19).
What are the key properties of N-(2-bromo-3-ethylpentyl)-2-ethoxybenzamide?
N-(2-bromo-3-ethylpentyl)-2-ethoxybenzamide has a molecular weight of 342.28 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-ethylpentyl)-2-ethoxybenzamide is sourced from PubChem (CID 106288292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).