N-(2-bromoethyl)-N-cyclopentyl-2-ethoxybenzamide

C16H22BrNO2 — CID 80659872

IUPACN-(2-bromoethyl)-N-cyclopentyl-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)N(CCBr)C1CCCC1
InChIInChI=1S/C16H22BrNO2/c1-2-20-15-10-6-5-9-14(15)16(19)18(12-11-17)13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3
InChIKeyKLSKBVZJQDQXMY-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.87
Rot. Bonds6

About N-(2-bromoethyl)-N-cyclopentyl-2-ethoxybenzamide

N-(2-bromoethyl)-N-cyclopentyl-2-ethoxybenzamide (PubChem CID 80659872) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopentyl-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopentyl-2-ethoxybenzamide
PubChem CID80659872
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC NameN-(2-bromoethyl)-N-cyclopentyl-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)N(CCBr)C1CCCC1
InChIInChI=1S/C16H22BrNO2/c1-2-20-15-10-6-5-9-14(15)16(19)18(12-11-17)13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3
InChIKeyKLSKBVZJQDQXMY-UHFFFAOYSA-N
XLogP3.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-cyclohexyl-2-ethoxybenzamide
CID 80652592
N-(3-chloropropyl)-N-cyclobutyl-2-ethoxybenzamide
CID 102871986
N-(2-aminoethyl)-N-cyclopropyl-2-ethoxybenzamide
CID 61349951
N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide
CID 80658813
N-(2-bromoethyl)-N-cyclopentyl-2-hydroxybenzamide
CID 80659305
2-bromo-N-(2-bromoethyl)-N-cyclobutylbenzamide
CID 102873258
N-(2-bromoethyl)-N-butyl-2-ethoxybenzamide
CID 80659573
2-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzamide
CID 55026177
N-(2-bromoethyl)-N-cyclopentyl-2,4-dimethoxybenzamide
CID 80652711
2-[cyclohexyl(ethyl)amino]-1-(2-ethoxyphenyl)ethanone
CID 43794243
N-cyclopropyl-2-ethoxy-N-[(2-fluorophenyl)methyl]benzamide
CID 55391046
N-(2-bromoethyl)-N-cyclohexyl-2-nitrobenzamide
CID 80652468

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-2-ethoxybenzamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-2-ethoxybenzamide (CID 80659872) is N-(2-bromoethyl)-N-cyclopentyl-2-ethoxybenzamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopentyl-2-ethoxybenzamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopentyl-2-ethoxybenzamide is CCOc1ccccc1C(=O)N(CCBr)C1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopentyl-2-ethoxybenzamide?
The InChIKey is KLSKBVZJQDQXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-2-20-15-10-6-5-9-14(15)16(19)18(12-11-17)13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclopentyl-2-ethoxybenzamide?
N-(2-bromoethyl)-N-cyclopentyl-2-ethoxybenzamide has a molecular weight of 340.26 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopentyl-2-ethoxybenzamide is sourced from PubChem (CID 80659872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).