N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide

C18H20ClNO2 — CID 112792734

IUPACN-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide
SMILESCCc1ccc(C(=O)N(C)CCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO2/c1-3-14-4-6-15(7-5-14)18(21)20(2)12-13-22-17-10-8-16(19)9-11-17/h4-11H,3,12-13H2,1-2H3
InChIKeyCJZMMCOAESVXAU-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.05
Rot. Bonds6

About N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide

N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide (PubChem CID 112792734) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide
PubChem CID112792734
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide
SMILESCCc1ccc(C(=O)N(C)CCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO2/c1-3-14-4-6-15(7-5-14)18(21)20(2)12-13-22-17-10-8-16(19)9-11-17/h4-11H,3,12-13H2,1-2H3
InChIKeyCJZMMCOAESVXAU-UHFFFAOYSA-N
XLogP4.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide
CID 112792740
4-bromo-N-[2-(4-chlorophenoxy)ethyl]-3-fluoro-N-methylbenzamide
CID 60589214
N-[2-(4-chlorophenoxy)ethyl]-4-(methoxysulfamoyl)-N-methylbenzamide
CID 55834326
N-[[4-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55758053
4-(methoxymethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 78794092
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-methylsulfonylbenzamide
CID 31289866
N-[2-(4-chlorophenoxy)ethyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 35691977
N-[2-(4-ethylphenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 50975165
4-chloro-N-[4-[[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]amino]phenyl]-N-methylbenzamide
CID 60577621
4-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-nitrobenzamide
CID 27795603
4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676165
N-(3-bromopropyl)-4-ethyl-N-methylbenzamide
CID 106441145

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide (CID 112792734) is N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide is CCc1ccc(C(=O)N(C)CCOc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide?
The InChIKey is CJZMMCOAESVXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-3-14-4-6-15(7-5-14)18(21)20(2)12-13-22-17-10-8-16(19)9-11-17/h4-11H,3,12-13H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide?
N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide has a molecular weight of 317.82 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide is sourced from PubChem (CID 112792734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).