[2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate

C18H18ClNO4 — CID 7705565

IUPAC[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)CC2=CC=C(C=C2)OC
InChIInChI=1S/C18H18ClNO4/c1-12-3-6-14(19)10-16(12)20-17(21)11-24-18(22)9-13-4-7-15(23-2)8-5-13/h3-8,10H,9,11H2,1-2H3,(H,20,21)
InChIKeyCGLFIZODDLLOLD-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.60
Rot. Bonds7

About [2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate

[2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate (PubChem CID 7705565) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
PubChem CID7705565
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)CC2=CC=C(C=C2)OC
InChIInChI=1S/C18H18ClNO4/c1-12-3-6-14(19)10-16(12)20-17(21)11-24-18(22)9-13-4-7-15(23-2)8-5-13/h3-8,10H,9,11H2,1-2H3,(H,20,21)
InChIKeyCGLFIZODDLLOLD-UHFFFAOYSA-N
XLogP3.60
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity423

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate (CID 7705565) is [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate is CC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)CC2=CC=C(C=C2)OC.
What is the InChIKey of [2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The InChIKey is CGLFIZODDLLOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-12-3-6-14(19)10-16(12)20-17(21)11-24-18(22)9-13-4-7-15(23-2)8-5-13/h3-8,10H,9,11H2,1-2H3,(H,20,21).
What are the key properties of [2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
[2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate has a molecular weight of 347.80 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 7705565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).