N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide

C18H20ClNO4 — CID 27446793

IUPACN-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide
SMILESCOc1cc(OC)cc(C(=O)N(C)CCOc2cccc(Cl)c2)c1
InChIInChI=1S/C18H20ClNO4/c1-20(7-8-24-15-6-4-5-14(19)11-15)18(21)13-9-16(22-2)12-17(10-13)23-3/h4-6,9-12H,7-8H2,1-3H3
InChIKeyLWPGYAJCEUSRQA-UHFFFAOYSA-N
MW349.81 g/mol
LogP3.51
Rot. Bonds7

About N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide

N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide (PubChem CID 27446793) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide
PubChem CID27446793
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide
SMILESCOc1cc(OC)cc(C(=O)N(C)CCOc2cccc(Cl)c2)c1
InChIInChI=1S/C18H20ClNO4/c1-20(7-8-24-15-6-4-5-14(19)11-15)18(21)13-9-16(22-2)12-17(10-13)23-3/h4-6,9-12H,7-8H2,1-3H3
InChIKeyLWPGYAJCEUSRQA-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

2,6-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 78819673
3-chloro-N-[2-(3-chlorophenoxy)ethyl]-4,5-dimethoxy-N-methylbenzamide
CID 31643778
N-[2-(3-chlorophenoxy)ethyl]-2,3-dimethoxy-N-methylbenzamide
CID 31643858
3-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
CID 61138440
N-[2-(3-chlorophenoxy)ethyl]-3-ethyl-N-methylthiophene-2-carboxamide
CID 55996825
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 33321730
2,5-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-3-carboxamide
CID 55431451
N-[2-(3-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 18119830
3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 55110390
N-[2-(3-methoxyphenoxy)ethyl]-N-methylacetamide
CID 118193850
N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide
CID 60953888
N-[2-(3-chlorophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide
CID 34472594

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide (CID 27446793) is N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide is COc1cc(OC)cc(C(=O)N(C)CCOc2cccc(Cl)c2)c1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide?
The InChIKey is LWPGYAJCEUSRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-20(7-8-24-15-6-4-5-14(19)11-15)18(21)13-9-16(22-2)12-17(10-13)23-3/h4-6,9-12H,7-8H2,1-3H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide?
N-[2-(3-chlorophenoxy)ethyl]-3,5-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]-3,5-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 27446793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).