ethyl 1-[2-(2,6-dichlorophenyl)acetyl]-4-methoxypyrrolidine-2-carboxylate

C16H19Cl2NO4 — CID 21469604

IUPACethyl 1-[2-(2,6-dichlorophenyl)acetyl]-4-methoxypyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CC(OC)CN1C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H19Cl2NO4/c1-3-23-16(21)14-7-10(22-2)9-19(14)15(20)8-11-12(17)5-4-6-13(11)18/h4-6,10,14H,3,7-9H2,1-2H3
InChIKeyGXQFXYHUQSFJSH-UHFFFAOYSA-N
MW360.24 g/mol
LogP2.71
Rot. Bonds5

About ethyl 1-[2-(2,6-dichlorophenyl)acetyl]-4-methoxypyrrolidine-2-carboxylate

ethyl 1-[2-(2,6-dichlorophenyl)acetyl]-4-methoxypyrrolidine-2-carboxylate (PubChem CID 21469604) has the molecular formula C16H19Cl2NO4 and a molecular weight of 360.24 g/mol. Its IUPAC name is ethyl 1-[2-(2,6-dichlorophenyl)acetyl]-4-methoxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2,6-dichlorophenyl)acetyl]-4-methoxypyrrolidine-2-carboxylate
PubChem CID21469604
Molecular FormulaC16H19Cl2NO4
Molecular Weight360.24 g/mol
Exact Mass359.07
IUPAC Nameethyl 1-[2-(2,6-dichlorophenyl)acetyl]-4-methoxypyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CC(OC)CN1C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H19Cl2NO4/c1-3-23-16(21)14-7-10(22-2)9-19(14)15(20)8-11-12(17)5-4-6-13(11)18/h4-6,10,14H,3,7-9H2,1-2H3
InChIKeyGXQFXYHUQSFJSH-UHFFFAOYSA-N
XLogP2.71
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2,6-dichlorophenyl)acetyl]-4-methoxypyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[2-(2,6-dichlorophenyl)acetyl]-4-methoxypyrrolidine-2-carboxylate (CID 21469604) is ethyl 1-[2-(2,6-dichlorophenyl)acetyl]-4-methoxypyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2,6-dichlorophenyl)acetyl]-4-methoxypyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-(2,6-dichlorophenyl)acetyl]-4-methoxypyrrolidine-2-carboxylate is CCOC(=O)C1CC(OC)CN1C(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of ethyl 1-[2-(2,6-dichlorophenyl)acetyl]-4-methoxypyrrolidine-2-carboxylate?
The InChIKey is GXQFXYHUQSFJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO4/c1-3-23-16(21)14-7-10(22-2)9-19(14)15(20)8-11-12(17)5-4-6-13(11)18/h4-6,10,14H,3,7-9H2,1-2H3.
What are the key properties of ethyl 1-[2-(2,6-dichlorophenyl)acetyl]-4-methoxypyrrolidine-2-carboxylate?
ethyl 1-[2-(2,6-dichlorophenyl)acetyl]-4-methoxypyrrolidine-2-carboxylate has a molecular weight of 360.24 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2,6-dichlorophenyl)acetyl]-4-methoxypyrrolidine-2-carboxylate is sourced from PubChem (CID 21469604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).