1-[2-(2-anilinophenyl)acetyl]pyrrolidin-2-one

C18H18N2O2 — CID 11687940

IUPAC1-[2-(2-anilinophenyl)acetyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)Cc1ccccc1Nc1ccccc1
InChIInChI=1S/C18H18N2O2/c21-17-11-6-12-20(17)18(22)13-14-7-4-5-10-16(14)19-15-8-2-1-3-9-15/h1-5,7-10,19H,6,11-13H2
InChIKeyLSGNJRNPJAFVAY-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.12
Rot. Bonds4

About 1-[2-(2-anilinophenyl)acetyl]pyrrolidin-2-one

1-[2-(2-anilinophenyl)acetyl]pyrrolidin-2-one (PubChem CID 11687940) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[2-(2-anilinophenyl)acetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-anilinophenyl)acetyl]pyrrolidin-2-one
PubChem CID11687940
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name1-[2-(2-anilinophenyl)acetyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)Cc1ccccc1Nc1ccccc1
InChIInChI=1S/C18H18N2O2/c21-17-11-6-12-20(17)18(22)13-14-7-4-5-10-16(14)19-15-8-2-1-3-9-15/h1-5,7-10,19H,6,11-13H2
InChIKeyLSGNJRNPJAFVAY-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenylacetyl)pyrrolidin-2-one
CID 13011419
N-phenyl-2-(piperidin-1-ylmethyl)aniline
CID 162401807
3-oxo-3-(2-oxopyrrolidin-1-yl)propanamide
CID 174751392
2-oxo-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 12884396
1-(2-aminoacetyl)pyrrolidin-2-one
CID 55208573
2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-3-phenylpropanoic acid
CID 60794331
zinc bis(2-oxopyrrolidine-1-carboxylate)
CID 22183105
potassium 2-oxopyrrolidine-1-carboxylate
CID 23675141
1-[2-(1,3-benzodioxol-5-yl)acetyl]pyrrolidin-2-one
CID 14127905
2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetic acid
CID 115038877
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7899062
1-(3,3-dideuterio-4-phenylbutanoyl)piperidin-2-one
CID 101320219

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-anilinophenyl)acetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(2-anilinophenyl)acetyl]pyrrolidin-2-one (CID 11687940) is 1-[2-(2-anilinophenyl)acetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2-anilinophenyl)acetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(2-anilinophenyl)acetyl]pyrrolidin-2-one is O=C1CCCN1C(=O)Cc1ccccc1Nc1ccccc1.
What is the InChIKey of 1-[2-(2-anilinophenyl)acetyl]pyrrolidin-2-one?
The InChIKey is LSGNJRNPJAFVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-17-11-6-12-20(17)18(22)13-14-7-4-5-10-16(14)19-15-8-2-1-3-9-15/h1-5,7-10,19H,6,11-13H2.
What are the key properties of 1-[2-(2-anilinophenyl)acetyl]pyrrolidin-2-one?
1-[2-(2-anilinophenyl)acetyl]pyrrolidin-2-one has a molecular weight of 294.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-anilinophenyl)acetyl]pyrrolidin-2-one is sourced from PubChem (CID 11687940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).