N-(2-chloroethyl)-2-ethoxy-N-ethylbenzamide

C13H18ClNO2 — CID 63395258

IUPACN-(2-chloroethyl)-2-ethoxy-N-ethylbenzamide
SMILESCCOc1ccccc1C(=O)N(CC)CCCl
InChIInChI=1S/C13H18ClNO2/c1-3-15(10-9-14)13(16)11-7-5-6-8-12(11)17-4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeyDCSAREBOGNHCAI-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.79
Rot. Bonds6

About N-(2-chloroethyl)-2-ethoxy-N-ethylbenzamide

N-(2-chloroethyl)-2-ethoxy-N-ethylbenzamide (PubChem CID 63395258) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-ethoxy-N-ethylbenzamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-ethoxy-N-ethylbenzamide
PubChem CID63395258
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC NameN-(2-chloroethyl)-2-ethoxy-N-ethylbenzamide
SMILESCCOc1ccccc1C(=O)N(CC)CCCl
InChIInChI=1S/C13H18ClNO2/c1-3-15(10-9-14)13(16)11-7-5-6-8-12(11)17-4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeyDCSAREBOGNHCAI-UHFFFAOYSA-N
XLogP2.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.79
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-chloroethyl)-N-ethyl-2-methoxybenzamide
CID 63395082
2-(chloromethoxy)-N,N-diethylbenzamide;hydrochloride
CID 173020221
N-(3-chloropropyl)-N-cyclobutyl-2-ethoxybenzamide
CID 102871986
N,N-bis(2-cyanoethyl)-2-ethoxybenzamide
CID 2207652
N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylbenzamide
CID 63391137
N-(2-bromoethyl)-N-butyl-2-ethoxybenzamide
CID 80659573
2,3-dichloro-N-(2-chloroethyl)-N-ethylbenzamide
CID 63395049
N-(2-chloroethyl)-4-ethoxy-N-ethylbenzamide
CID 63395634
2-ethoxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 107483427
N-(3-chloropropyl)-N-ethyl-2,3-dimethoxybenzamide
CID 113469120
2-[(2-chlorophenyl)methoxy]-N,N-diethylbenzamide
CID 13073609
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethoxybenzamide
CID 107493431

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-ethoxy-N-ethylbenzamide?
The IUPAC name of N-(2-chloroethyl)-2-ethoxy-N-ethylbenzamide (CID 63395258) is N-(2-chloroethyl)-2-ethoxy-N-ethylbenzamide.
What is the SMILES notation for N-(2-chloroethyl)-2-ethoxy-N-ethylbenzamide?
The canonical SMILES for N-(2-chloroethyl)-2-ethoxy-N-ethylbenzamide is CCOc1ccccc1C(=O)N(CC)CCCl.
What is the InChIKey of N-(2-chloroethyl)-2-ethoxy-N-ethylbenzamide?
The InChIKey is DCSAREBOGNHCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-3-15(10-9-14)13(16)11-7-5-6-8-12(11)17-4-2/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-2-ethoxy-N-ethylbenzamide?
N-(2-chloroethyl)-2-ethoxy-N-ethylbenzamide has a molecular weight of 255.75 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-ethoxy-N-ethylbenzamide is sourced from PubChem (CID 63395258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).