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1-[2-(2-chloro-3-methoxyphenyl)acetyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide

C17H23ClN2O4 — CID 126825078

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[2-(2-chloro-3-methoxyphenyl)acetyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1(COC)CCCN1C(=O)Cc1cccc(OC)c1Cl
InChIInChI=1S/C17H23ClN2O4/c1-19-16(22)17(11-23-2)8-5-9-20(17)14(21)10-12-6-4-7-13(24-3)15(12)18/h4,6-7H,5,8-11H2,1-3H3,(H,19,22)
InChIKeyPFCMJSQFFSXQSH-UHFFFAOYSA-N
MW354.83 g/mol
LogP1.64
Rot. Bonds6

About 1-[2-(2-chloro-3-methoxyphenyl)acetyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide

1-[2-(2-chloro-3-methoxyphenyl)acetyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 126825078) has the molecular formula C17H23ClN2O4 and a molecular weight of 354.83 g/mol. Its IUPAC name is 1-[2-(2-chloro-3-methoxyphenyl)acetyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(2-chloro-3-methoxyphenyl)acetyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID126825078
Molecular FormulaC17H23ClN2O4
Molecular Weight354.83 g/mol
Exact Mass354.13
IUPAC Name1-[2-(2-chloro-3-methoxyphenyl)acetyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1(COC)CCCN1C(=O)Cc1cccc(OC)c1Cl
InChIInChI=1S/C17H23ClN2O4/c1-19-16(22)17(11-23-2)8-5-9-20(17)14(21)10-12-6-4-7-13(24-3)15(12)18/h4,6-7H,5,8-11H2,1-3H3,(H,19,22)
InChIKeyPFCMJSQFFSXQSH-UHFFFAOYSA-N
XLogP1.64
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-3-methoxyphenyl)acetyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(2-chloro-3-methoxyphenyl)acetyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide (CID 126825078) is 1-[2-(2-chloro-3-methoxyphenyl)acetyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(2-chloro-3-methoxyphenyl)acetyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(2-chloro-3-methoxyphenyl)acetyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1(COC)CCCN1C(=O)Cc1cccc(OC)c1Cl.
What is the InChIKey of 1-[2-(2-chloro-3-methoxyphenyl)acetyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is PFCMJSQFFSXQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O4/c1-19-16(22)17(11-23-2)8-5-9-20(17)14(21)10-12-6-4-7-13(24-3)15(12)18/h4,6-7H,5,8-11H2,1-3H3,(H,19,22).
What are the key properties of 1-[2-(2-chloro-3-methoxyphenyl)acetyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide?
1-[2-(2-chloro-3-methoxyphenyl)acetyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 354.83 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-3-methoxyphenyl)acetyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 126825078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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