[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate

C18H17Cl2NO4 — CID 2363554

IUPAC[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
SMILESCOc1ccc(CNC(=O)COC(=O)Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H17Cl2NO4/c1-24-15-6-2-12(3-7-15)10-21-17(22)11-25-18(23)8-13-4-5-14(19)9-16(13)20/h2-7,9H,8,10-11H2,1H3,(H,21,22)
InChIKeyYYOCLLREEJNSSS-UHFFFAOYSA-N
MW382.24 g/mol
LogP3.40
Rot. Bonds7

About [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate (PubChem CID 2363554) has the molecular formula C18H17Cl2NO4 and a molecular weight of 382.24 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
PubChem CID2363554
Molecular FormulaC18H17Cl2NO4
Molecular Weight382.24 g/mol
Exact Mass381.05
IUPAC Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
SMILESCOc1ccc(CNC(=O)COC(=O)Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H17Cl2NO4/c1-24-15-6-2-12(3-7-15)10-21-17(22)11-25-18(23)8-13-4-5-14(19)9-16(13)20/h2-7,9H,8,10-11H2,1H3,(H,21,22)
InChIKeyYYOCLLREEJNSSS-UHFFFAOYSA-N
XLogP3.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate with MolForge

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

Launch Full Analysis

Related Compounds

[2-(Benzylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523281
Ethyl 2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanoate
CID 3031173
Acetic acid [(benzo[1,3]dioxol-5-ylmethyl)-carbamoyl]-(2-chloro-phenyl)-methyl ester
CID 644839
2-(2,6-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2096272
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2120011
[2-[2-(4-Methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylacetate
CID 2335731
[2-[2-(4-Methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2335787
(E)-2-cyano-3-(4-methoxyphenyl)acrylic acid [2-[(2-chlorobenzyl)amino]-2-keto-ethyl] ester
CID 2381911
[2-[(4-Methoxyphenyl)methylamino]-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 2407942
(2-Chloro-6-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 2418216
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2539687
[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 4213400

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
The IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate (CID 2363554) is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate.
What is the SMILES notation for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
The canonical SMILES for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate is COc1ccc(CNC(=O)COC(=O)Cc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
The InChIKey is YYOCLLREEJNSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO4/c1-24-15-6-2-12(3-7-15)10-21-17(22)11-25-18(23)8-13-4-5-14(19)9-16(13)20/h2-7,9H,8,10-11H2,1H3,(H,21,22).
What are the key properties of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate has a molecular weight of 382.24 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate is sourced from PubChem (CID 2363554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).