3-(2-oxopyrrolidin-1-yl)-N-phenylbenzamide

C17H16N2O2 — CID 648738

IUPAC3-(2-oxopyrrolidin-1-yl)-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H16N2O2/c20-16-10-5-11-19(16)15-9-4-6-13(12-15)17(21)18-14-7-2-1-3-8-14/h1-4,6-9,12H,5,10-11H2,(H,18,21)
InChIKeyNGGXEPIWSVENNO-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.07
Rot. Bonds3

About 3-(2-oxopyrrolidin-1-yl)-N-phenylbenzamide

3-(2-oxopyrrolidin-1-yl)-N-phenylbenzamide (PubChem CID 648738) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(2-oxopyrrolidin-1-yl)-N-phenylbenzamide.

Molecular Properties

Compound Name3-(2-oxopyrrolidin-1-yl)-N-phenylbenzamide
PubChem CID648738
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-(2-oxopyrrolidin-1-yl)-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H16N2O2/c20-16-10-5-11-19(16)15-9-4-6-13(12-15)17(21)18-14-7-2-1-3-8-14/h1-4,6-9,12H,5,10-11H2,(H,18,21)
InChIKeyNGGXEPIWSVENNO-UHFFFAOYSA-N
XLogP3.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-phenylbenzamide?
The IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-phenylbenzamide (CID 648738) is 3-(2-oxopyrrolidin-1-yl)-N-phenylbenzamide.
What is the SMILES notation for 3-(2-oxopyrrolidin-1-yl)-N-phenylbenzamide?
The canonical SMILES for 3-(2-oxopyrrolidin-1-yl)-N-phenylbenzamide is O=C(Nc1ccccc1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of 3-(2-oxopyrrolidin-1-yl)-N-phenylbenzamide?
The InChIKey is NGGXEPIWSVENNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-16-10-5-11-19(16)15-9-4-6-13(12-15)17(21)18-14-7-2-1-3-8-14/h1-4,6-9,12H,5,10-11H2,(H,18,21).
What are the key properties of 3-(2-oxopyrrolidin-1-yl)-N-phenylbenzamide?
3-(2-oxopyrrolidin-1-yl)-N-phenylbenzamide has a molecular weight of 280.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopyrrolidin-1-yl)-N-phenylbenzamide is sourced from PubChem (CID 648738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).