4-(2-amino-2-oxoethoxy)-N-(5-chloro-2-methoxyphenyl)-3,5-dimethoxybenzamide

C18H19ClN2O6 — CID 17470265

IUPAC4-(2-amino-2-oxoethoxy)-N-(5-chloro-2-methoxyphenyl)-3,5-dimethoxybenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1
InChIInChI=1S/C18H19ClN2O6/c1-24-13-5-4-11(19)8-12(13)21-18(23)10-6-14(25-2)17(15(7-10)26-3)27-9-16(20)22/h4-8H,9H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyJURCWLMYUYRBMC-UHFFFAOYSA-N
MW394.81 g/mol
LogP2.48
Rot. Bonds8

About 4-(2-amino-2-oxoethoxy)-N-(5-chloro-2-methoxyphenyl)-3,5-dimethoxybenzamide

4-(2-amino-2-oxoethoxy)-N-(5-chloro-2-methoxyphenyl)-3,5-dimethoxybenzamide (PubChem CID 17470265) has the molecular formula C18H19ClN2O6 and a molecular weight of 394.81 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-(5-chloro-2-methoxyphenyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-(5-chloro-2-methoxyphenyl)-3,5-dimethoxybenzamide
PubChem CID17470265
Molecular FormulaC18H19ClN2O6
Molecular Weight394.81 g/mol
Exact Mass394.09
IUPAC Name4-(2-amino-2-oxoethoxy)-N-(5-chloro-2-methoxyphenyl)-3,5-dimethoxybenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1
InChIInChI=1S/C18H19ClN2O6/c1-24-13-5-4-11(19)8-12(13)21-18(23)10-6-14(25-2)17(15(7-10)26-3)27-9-16(20)22/h4-8H,9H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyJURCWLMYUYRBMC-UHFFFAOYSA-N
XLogP2.48
TPSA109.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.81
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(2-amino-2-oxoethoxy)-N-(5-chloro-2-methoxyphenyl)-3,5-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-(5-chloro-2-methoxyphenyl)-3,5-dimethoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-(5-chloro-2-methoxyphenyl)-3,5-dimethoxybenzamide (CID 17470265) is 4-(2-amino-2-oxoethoxy)-N-(5-chloro-2-methoxyphenyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-(5-chloro-2-methoxyphenyl)-3,5-dimethoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-(5-chloro-2-methoxyphenyl)-3,5-dimethoxybenzamide is COc1ccc(Cl)cc1NC(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-(5-chloro-2-methoxyphenyl)-3,5-dimethoxybenzamide?
The InChIKey is JURCWLMYUYRBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O6/c1-24-13-5-4-11(19)8-12(13)21-18(23)10-6-14(25-2)17(15(7-10)26-3)27-9-16(20)22/h4-8H,9H2,1-3H3,(H2,20,22)(H,21,23).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-(5-chloro-2-methoxyphenyl)-3,5-dimethoxybenzamide?
4-(2-amino-2-oxoethoxy)-N-(5-chloro-2-methoxyphenyl)-3,5-dimethoxybenzamide has a molecular weight of 394.81 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-(5-chloro-2-methoxyphenyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 17470265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).