N-(2-bromoethyl)-N-cyclohexyl-2-ethoxybenzamide

C17H24BrNO2 — CID 80652592

IUPACN-(2-bromoethyl)-N-cyclohexyl-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)N(CCBr)C1CCCCC1
InChIInChI=1S/C17H24BrNO2/c1-2-21-16-11-7-6-10-15(16)17(20)19(13-12-18)14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3
InChIKeyLBINWVIBIFLRTI-UHFFFAOYSA-N
MW354.29 g/mol
LogP4.26
Rot. Bonds6

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

N-(2-bromoethyl)-N-cyclohexyl-2-ethoxybenzamide (PubChem CID 80652592) has the molecular formula C17H24BrNO2 and a molecular weight of 354.29 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclohexyl-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclohexyl-2-ethoxybenzamide
PubChem CID80652592
Molecular FormulaC17H24BrNO2
Molecular Weight354.29 g/mol
Exact Mass353.10
IUPAC NameN-(2-bromoethyl)-N-cyclohexyl-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)N(CCBr)C1CCCCC1
InChIInChI=1S/C17H24BrNO2/c1-2-21-16-11-7-6-10-15(16)17(20)19(13-12-18)14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3
InChIKeyLBINWVIBIFLRTI-UHFFFAOYSA-N
XLogP4.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 54.26
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-cyclopentyl-2-ethoxybenzamide
CID 80659872
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
2-[cyclohexyl(ethyl)amino]-1-(2-ethoxyphenyl)ethanone
CID 43794243
N-(2-bromoethyl)-N-cyclohexyl-2-nitrobenzamide
CID 80652468
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-2-methylbenzamide
CID 107100035
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

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-2-ethoxybenzamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-2-ethoxybenzamide (CID 80652592) is N-(2-bromoethyl)-N-cyclohexyl-2-ethoxybenzamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclohexyl-2-ethoxybenzamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclohexyl-2-ethoxybenzamide is CCOc1ccccc1C(=O)N(CCBr)C1CCCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclohexyl-2-ethoxybenzamide?
The InChIKey is LBINWVIBIFLRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO2/c1-2-21-16-11-7-6-10-15(16)17(20)19(13-12-18)14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclohexyl-2-ethoxybenzamide?
N-(2-bromoethyl)-N-cyclohexyl-2-ethoxybenzamide has a molecular weight of 354.29 g/mol, XLogP of 4.26, 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-cyclohexyl-2-ethoxybenzamide is sourced from PubChem (CID 80652592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).