[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate

C18H17Cl2NO4 — CID 2092967

IUPAC[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
SMILESCOc1ccccc1CNC(=O)COC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H17Cl2NO4/c1-24-16-8-3-2-5-12(16)10-21-17(22)11-25-18(23)9-13-14(19)6-4-7-15(13)20/h2-8H,9-11H2,1H3,(H,21,22)
InChIKeyLLMFVHGWKUNSQK-UHFFFAOYSA-N
MW382.24 g/mol
LogP3.40
Rot. Bonds7

About [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate (PubChem CID 2092967) has the molecular formula C18H17Cl2NO4 and a molecular weight of 382.24 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
PubChem CID2092967
Molecular FormulaC18H17Cl2NO4
Molecular Weight382.24 g/mol
Exact Mass381.05
IUPAC Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
SMILESCOc1ccccc1CNC(=O)COC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H17Cl2NO4/c1-24-16-8-3-2-5-12(16)10-21-17(22)11-25-18(23)9-13-14(19)6-4-7-15(13)20/h2-8H,9-11H2,1H3,(H,21,22)
InChIKeyLLMFVHGWKUNSQK-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-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate (CID 2092967) is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate is COc1ccccc1CNC(=O)COC(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The InChIKey is LLMFVHGWKUNSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO4/c1-24-16-8-3-2-5-12(16)10-21-17(22)11-25-18(23)9-13-14(19)6-4-7-15(13)20/h2-8H,9-11H2,1H3,(H,21,22).
What are the key properties of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,6-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-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate is sourced from PubChem (CID 2092967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).