N-(2-bromoethyl)-N-butyl-2-ethoxybenzamide

C15H22BrNO2 — CID 80659573

IUPACN-(2-bromoethyl)-N-butyl-2-ethoxybenzamide
SMILESCCCCN(CCBr)C(=O)c1ccccc1OCC
InChIInChI=1S/C15H22BrNO2/c1-3-5-11-17(12-10-16)15(18)13-8-6-7-9-14(13)19-4-2/h6-9H,3-5,10-12H2,1-2H3
InChIKeyOKVNMQFJYWEWSP-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.72
Rot. Bonds8

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

N-(2-bromoethyl)-N-butyl-2-ethoxybenzamide (PubChem CID 80659573) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-butyl-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-butyl-2-ethoxybenzamide
PubChem CID80659573
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC NameN-(2-bromoethyl)-N-butyl-2-ethoxybenzamide
SMILESCCCCN(CCBr)C(=O)c1ccccc1OCC
InChIInChI=1S/C15H22BrNO2/c1-3-5-11-17(12-10-16)15(18)13-8-6-7-9-14(13)19-4-2/h6-9H,3-5,10-12H2,1-2H3
InChIKeyOKVNMQFJYWEWSP-UHFFFAOYSA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.72
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-butyl-2-methylsulfanylbenzamide
CID 80659580
N,N-bis(2-cyanoethyl)-2-ethoxybenzamide
CID 2207652
2-(dibutylamino)-1-(2-ethoxyphenyl)ethanone
CID 43794795
N-(2-bromoethyl)-N-cyclopentyl-2-ethoxybenzamide
CID 80659872
2-bromo-N,N-dibutylbenzamide
CID 2843235
N-(2-chloroethyl)-2-ethoxy-N-ethylbenzamide
CID 63395258
N-(2-bromoethyl)-N-cyclohexyl-2-ethoxybenzamide
CID 80652592
N-(2-bromoethyl)-N-butyl-2,4-difluorobenzamide
CID 80662300
N-(2-aminoethyl)-N-butyl-2-(difluoromethoxy)benzamide
CID 63754069
N-(2-bromoethyl)-N-butyl-2,6-difluorobenzamide
CID 80658889
2-ethoxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 107483427
N-(2-bromoethyl)-N-butyl-2-methoxy-4-nitrobenzamide
CID 104784742

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-butyl-2-ethoxybenzamide?
The IUPAC name of N-(2-bromoethyl)-N-butyl-2-ethoxybenzamide (CID 80659573) is N-(2-bromoethyl)-N-butyl-2-ethoxybenzamide.
What is the SMILES notation for N-(2-bromoethyl)-N-butyl-2-ethoxybenzamide?
The canonical SMILES for N-(2-bromoethyl)-N-butyl-2-ethoxybenzamide is CCCCN(CCBr)C(=O)c1ccccc1OCC.
What is the InChIKey of N-(2-bromoethyl)-N-butyl-2-ethoxybenzamide?
The InChIKey is OKVNMQFJYWEWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-3-5-11-17(12-10-16)15(18)13-8-6-7-9-14(13)19-4-2/h6-9H,3-5,10-12H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-butyl-2-ethoxybenzamide?
N-(2-bromoethyl)-N-butyl-2-ethoxybenzamide has a molecular weight of 328.25 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-butyl-2-ethoxybenzamide is sourced from PubChem (CID 80659573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).