3-cyano-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide

C18H15N3O2 — CID 18090514

IUPAC3-cyano-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccccc2N2CCCC2=O)c1
InChIInChI=1S/C18H15N3O2/c19-12-13-5-3-6-14(11-13)18(23)20-15-7-1-2-8-16(15)21-10-4-9-17(21)22/h1-3,5-8,11H,4,9-10H2,(H,20,23)
InChIKeyNNIOCBYTMDUFPN-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.94
Rot. Bonds3

About 3-cyano-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide

3-cyano-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide (PubChem CID 18090514) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-cyano-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
PubChem CID18090514
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name3-cyano-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccccc2N2CCCC2=O)c1
InChIInChI=1S/C18H15N3O2/c19-12-13-5-3-6-14(11-13)18(23)20-15-7-1-2-8-16(15)21-10-4-9-17(21)22/h1-3,5-8,11H,4,9-10H2,(H,20,23)
InChIKeyNNIOCBYTMDUFPN-UHFFFAOYSA-N
XLogP2.94
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-pyrrol-1-ylbenzamide
CID 17426523
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-cyanobenzamide
CID 57327098
5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-carboxamide
CID 39638037
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26955394
3-cyano-N-(2-iodophenyl)benzamide
CID 7900624
3-hydroxy-4-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18204927
1-methyl-3-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,4-dihydroquinoxaline-6-carboxamide
CID 55864837
3-ethoxy-4-methoxy-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17497049
3-[(3-cyanobenzoyl)amino]-2-methylbenzoic acid
CID 60748959
2,5-dichloro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26709772
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9442082
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 17439047

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 3-cyano-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide (CID 18090514) is 3-cyano-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-cyano-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 3-cyano-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide is N#Cc1cccc(C(=O)Nc2ccccc2N2CCCC2=O)c1.
What is the InChIKey of 3-cyano-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is NNIOCBYTMDUFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c19-12-13-5-3-6-14(11-13)18(23)20-15-7-1-2-8-16(15)21-10-4-9-17(21)22/h1-3,5-8,11H,4,9-10H2,(H,20,23).
What are the key properties of 3-cyano-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
3-cyano-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 305.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 18090514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).