N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide

C19H21ClN2O4 — CID 8501233

IUPACN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccccc1CC(=O)N(C)CC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C19H21ClN2O4/c1-22(19(24)10-13-6-4-5-7-16(13)25-2)12-18(23)21-15-11-14(20)8-9-17(15)26-3/h4-9,11H,10,12H2,1-3H3,(H,21,23)
InChIKeyMLWOEXVLBDOCHG-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.00
Rot. Bonds7

About N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide

N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide (PubChem CID 8501233) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide
PubChem CID8501233
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccccc1CC(=O)N(C)CC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C19H21ClN2O4/c1-22(19(24)10-13-6-4-5-7-16(13)25-2)12-18(23)21-15-11-14(20)8-9-17(15)26-3/h4-9,11H,10,12H2,1-3H3,(H,21,23)
InChIKeyMLWOEXVLBDOCHG-UHFFFAOYSA-N
XLogP3.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide?
The IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide (CID 8501233) is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide is COc1ccccc1CC(=O)N(C)CC(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide?
The InChIKey is MLWOEXVLBDOCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-22(19(24)10-13-6-4-5-7-16(13)25-2)12-18(23)21-15-11-14(20)8-9-17(15)26-3/h4-9,11H,10,12H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide?
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide has a molecular weight of 376.84 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 8501233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).