1-benzyl-N-[2-(2-chlorophenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide

C24H21ClN2O3 — CID 24514266

IUPAC1-benzyl-N-[2-(2-chlorophenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1Cl)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C24H21ClN2O3/c25-19-10-4-6-12-21(19)30-22-13-7-5-11-20(22)26-24(29)18-14-23(28)27(16-18)15-17-8-2-1-3-9-17/h1-13,18H,14-16H2,(H,26,29)
InChIKeyBONZHWDAZLZQAR-UHFFFAOYSA-N
MW420.90 g/mol
LogP5.12
Rot. Bonds6

About 1-benzyl-N-[2-(2-chlorophenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-[2-(2-chlorophenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 24514266) has the molecular formula C24H21ClN2O3 and a molecular weight of 420.90 g/mol. Its IUPAC name is 1-benzyl-N-[2-(2-chlorophenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(2-chlorophenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID24514266
Molecular FormulaC24H21ClN2O3
Molecular Weight420.90 g/mol
Exact Mass420.12
IUPAC Name1-benzyl-N-[2-(2-chlorophenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1Cl)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C24H21ClN2O3/c25-19-10-4-6-12-21(19)30-22-13-7-5-11-20(22)26-24(29)18-14-23(28)27(16-18)15-17-8-2-1-3-9-17/h1-13,18H,14-16H2,(H,26,29)
InChIKeyBONZHWDAZLZQAR-UHFFFAOYSA-N
XLogP5.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(2-chlorophenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(2-chlorophenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 24514266) is 1-benzyl-N-[2-(2-chlorophenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(2-chlorophenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(2-chlorophenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccccc1Oc1ccccc1Cl)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-[2-(2-chlorophenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BONZHWDAZLZQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O3/c25-19-10-4-6-12-21(19)30-22-13-7-5-11-20(22)26-24(29)18-14-23(28)27(16-18)15-17-8-2-1-3-9-17/h1-13,18H,14-16H2,(H,26,29).
What are the key properties of 1-benzyl-N-[2-(2-chlorophenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-[2-(2-chlorophenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 420.90 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(2-chlorophenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 24514266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).