4-(2-oxopyrrolidin-1-yl)-N-[(E)-1-phenylethylideneamino]benzamide

C19H19N3O2 — CID 5338193

IUPAC4-(2-oxopyrrolidin-1-yl)-N-[(E)-1-phenylethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-14(15-6-3-2-4-7-15)20-21-19(24)16-9-11-17(12-10-16)22-13-5-8-18(22)23/h2-4,6-7,9-12H,5,8,13H2,1H3,(H,21,24)/b20-14+
InChIKeyVCTCQKCPGHRJBC-XSFVSMFZSA-N
MW321.38 g/mol
LogP2.97
Rot. Bonds4

About 4-(2-oxopyrrolidin-1-yl)-N-[(E)-1-phenylethylideneamino]benzamide

4-(2-oxopyrrolidin-1-yl)-N-[(E)-1-phenylethylideneamino]benzamide (PubChem CID 5338193) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-[(E)-1-phenylethylideneamino]benzamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-[(E)-1-phenylethylideneamino]benzamide
PubChem CID5338193
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-[(E)-1-phenylethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-14(15-6-3-2-4-7-15)20-21-19(24)16-9-11-17(12-10-16)22-13-5-8-18(22)23/h2-4,6-7,9-12H,5,8,13H2,1H3,(H,21,24)/b20-14+
InChIKeyVCTCQKCPGHRJBC-XSFVSMFZSA-N
XLogP2.97
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[(E)-1-phenylethylideneamino]benzamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[(E)-1-phenylethylideneamino]benzamide (CID 5338193) is 4-(2-oxopyrrolidin-1-yl)-N-[(E)-1-phenylethylideneamino]benzamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-[(E)-1-phenylethylideneamino]benzamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-[(E)-1-phenylethylideneamino]benzamide is C/C(=N\NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-[(E)-1-phenylethylideneamino]benzamide?
The InChIKey is VCTCQKCPGHRJBC-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14(15-6-3-2-4-7-15)20-21-19(24)16-9-11-17(12-10-16)22-13-5-8-18(22)23/h2-4,6-7,9-12H,5,8,13H2,1H3,(H,21,24)/b20-14+.
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-[(E)-1-phenylethylideneamino]benzamide?
4-(2-oxopyrrolidin-1-yl)-N-[(E)-1-phenylethylideneamino]benzamide has a molecular weight of 321.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)-N-[(E)-1-phenylethylideneamino]benzamide is sourced from PubChem (CID 5338193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).