N-(2-chloroethyl)-4-ethoxy-N-ethylbenzamide

C13H18ClNO2 — CID 63395634

IUPACN-(2-chloroethyl)-4-ethoxy-N-ethylbenzamide
SMILESCCOc1ccc(C(=O)N(CC)CCCl)cc1
InChIInChI=1S/C13H18ClNO2/c1-3-15(10-9-14)13(16)11-5-7-12(8-6-11)17-4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeyAUIGMGZJLVWHSR-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.79
Rot. Bonds6

About N-(2-chloroethyl)-4-ethoxy-N-ethylbenzamide

N-(2-chloroethyl)-4-ethoxy-N-ethylbenzamide (PubChem CID 63395634) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is N-(2-chloroethyl)-4-ethoxy-N-ethylbenzamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-4-ethoxy-N-ethylbenzamide
PubChem CID63395634
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC NameN-(2-chloroethyl)-4-ethoxy-N-ethylbenzamide
SMILESCCOc1ccc(C(=O)N(CC)CCCl)cc1
InChIInChI=1S/C13H18ClNO2/c1-3-15(10-9-14)13(16)11-5-7-12(8-6-11)17-4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeyAUIGMGZJLVWHSR-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-4-methoxybenzamide
CID 63395129
N-(2-chloroethyl)-N-ethylpyridine-4-carboxamide
CID 63395039
1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048413
N-(2-chloroethyl)-N-ethyl-6-methylpyridine-3-carboxamide
CID 63395365
N-(2-chloroethyl)-N-ethyl-4-nitrobenzamide
CID 63395548
N,N-bis(cyanomethyl)-4-ethoxybenzamide
CID 710517
N-(2-chloroethyl)-2-ethoxy-N-ethylbenzamide
CID 63395258
N,N-diethyl-4-(2-methoxyethoxy)benzamide
CID 17353475
N,N-dicyclohexyl-4-ethoxybenzamide
CID 4227580
N-(1-chloropropan-2-yl)-4-ethoxy-N-methylbenzamide
CID 104555583
N-(2-chloroethyl)-N-ethylquinoxaline-6-carboxamide
CID 55186656
N-ethyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 39245676

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-4-ethoxy-N-ethylbenzamide?
The IUPAC name of N-(2-chloroethyl)-4-ethoxy-N-ethylbenzamide (CID 63395634) is N-(2-chloroethyl)-4-ethoxy-N-ethylbenzamide.
What is the SMILES notation for N-(2-chloroethyl)-4-ethoxy-N-ethylbenzamide?
The canonical SMILES for N-(2-chloroethyl)-4-ethoxy-N-ethylbenzamide is CCOc1ccc(C(=O)N(CC)CCCl)cc1.
What is the InChIKey of N-(2-chloroethyl)-4-ethoxy-N-ethylbenzamide?
The InChIKey is AUIGMGZJLVWHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-3-15(10-9-14)13(16)11-5-7-12(8-6-11)17-4-2/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-4-ethoxy-N-ethylbenzamide?
N-(2-chloroethyl)-4-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)-4-ethoxy-N-ethylbenzamide is sourced from PubChem (CID 63395634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).