[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

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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).