1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide

C19H19ClN2O2 — CID 50797712

IUPAC1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C19H19ClN2O2/c1-13-2-4-14(5-3-13)12-21-18(23)17-10-11-22(19(17)24)16-8-6-15(20)7-9-16/h2-9,17H,10-12H2,1H3,(H,21,23)
InChIKeyRCSLHWMVTNQZIC-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.32
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide (PubChem CID 50797712) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
PubChem CID50797712
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C19H19ClN2O2/c1-13-2-4-14(5-3-13)12-21-18(23)17-10-11-22(19(17)24)16-8-6-15(20)7-9-16/h2-9,17H,10-12H2,1H3,(H,21,23)
InChIKeyRCSLHWMVTNQZIC-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide (CID 50797712) is 1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide is Cc1ccc(CNC(=O)C2CCN(c3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide?
The InChIKey is RCSLHWMVTNQZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-13-2-4-14(5-3-13)12-21-18(23)17-10-11-22(19(17)24)16-8-6-15(20)7-9-16/h2-9,17H,10-12H2,1H3,(H,21,23).
What are the key properties of 1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 50797712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).