N-[2-(3-chlorophenoxy)ethyl]-2,3-dimethoxy-N-methylbenzamide

C18H20ClNO4 — CID 31643858

IUPACN-[2-(3-chlorophenoxy)ethyl]-2,3-dimethoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)CCOc2cccc(Cl)c2)c1OC
InChIInChI=1S/C18H20ClNO4/c1-20(10-11-24-14-7-4-6-13(19)12-14)18(21)15-8-5-9-16(22-2)17(15)23-3/h4-9,12H,10-11H2,1-3H3
InChIKeyHXAIKDYIUHGNTE-UHFFFAOYSA-N
MW349.81 g/mol
LogP3.51
Rot. Bonds7

About N-[2-(3-chlorophenoxy)ethyl]-2,3-dimethoxy-N-methylbenzamide

N-[2-(3-chlorophenoxy)ethyl]-2,3-dimethoxy-N-methylbenzamide (PubChem CID 31643858) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-2,3-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-2,3-dimethoxy-N-methylbenzamide
PubChem CID31643858
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-2,3-dimethoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)CCOc2cccc(Cl)c2)c1OC
InChIInChI=1S/C18H20ClNO4/c1-20(10-11-24-14-7-4-6-13(19)12-14)18(21)15-8-5-9-16(22-2)17(15)23-3/h4-9,12H,10-11H2,1-3H3
InChIKeyHXAIKDYIUHGNTE-UHFFFAOYSA-N
XLogP3.51
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(3-chlorophenoxy)ethyl]-4,5-dimethoxy-N-methylbenzamide
CID 31643778
2,5-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-3-carboxamide
CID 55431451
N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 27446793
N-[2-(4-chlorophenoxy)ethyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 112792660
2-(3-chlorophenoxy)ethyl 2,3,4-trimethoxybenzoate
CID 16523899
N-butyl-2,3-dimethoxy-N-methylbenzamide
CID 78796146
2,6-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 78819673
N-[2-(3-chlorophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide
CID 34472594
2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 41416148
3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 55110390
N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide
CID 60953888
N-[2-(3-chlorophenoxy)ethyl]-N-methylquinoxaline-2-carboxamide
CID 31643907

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-2,3-dimethoxy-N-methylbenzamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-2,3-dimethoxy-N-methylbenzamide (CID 31643858) is N-[2-(3-chlorophenoxy)ethyl]-2,3-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-2,3-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-2,3-dimethoxy-N-methylbenzamide is COc1cccc(C(=O)N(C)CCOc2cccc(Cl)c2)c1OC.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-2,3-dimethoxy-N-methylbenzamide?
The InChIKey is HXAIKDYIUHGNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-20(10-11-24-14-7-4-6-13(19)12-14)18(21)15-8-5-9-16(22-2)17(15)23-3/h4-9,12H,10-11H2,1-3H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-2,3-dimethoxy-N-methylbenzamide?
N-[2-(3-chlorophenoxy)ethyl]-2,3-dimethoxy-N-methylbenzamide has a molecular weight of 349.81 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-2,3-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 31643858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).