N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-pyrrol-1-ylbenzamide

C21H19N3O2 — CID 17426523

IUPACN-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-pyrrol-1-ylbenzamide
SMILESO=C(Nc1ccccc1N1CCCC1=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C21H19N3O2/c25-20-11-6-14-24(20)19-10-2-1-9-18(19)22-21(26)16-7-5-8-17(15-16)23-12-3-4-13-23/h1-5,7-10,12-13,15H,6,11,14H2,(H,22,26)
InChIKeyXDWDDRXMQYVBLM-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.86
Rot. Bonds4

About N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-pyrrol-1-ylbenzamide

N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-pyrrol-1-ylbenzamide (PubChem CID 17426523) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-pyrrol-1-ylbenzamide
PubChem CID17426523
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-pyrrol-1-ylbenzamide
SMILESO=C(Nc1ccccc1N1CCCC1=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C21H19N3O2/c25-20-11-6-14-24(20)19-10-2-1-9-18(19)22-21(26)16-7-5-8-17(15-16)23-12-3-4-13-23/h1-5,7-10,12-13,15H,6,11,14H2,(H,22,26)
InChIKeyXDWDDRXMQYVBLM-UHFFFAOYSA-N
XLogP3.86
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18090514
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26955394
5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-carboxamide
CID 39638037
N-[2-(difluoromethoxy)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 27827122
3-hydroxy-4-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18204927
N-(2-aminoethyl)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide
CID 120604401
N-(2,6-difluorophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 93174706
N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654
N-(2-bromo-4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 27826911
3-ethoxy-4-methoxy-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17497049
1-methyl-3-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,4-dihydroquinoxaline-6-carboxamide
CID 55864837
4-fluoro-N-[1-[3-(2-oxopyrrolidin-1-yl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 55979035

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-pyrrol-1-ylbenzamide (CID 17426523) is N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-pyrrol-1-ylbenzamide is O=C(Nc1ccccc1N1CCCC1=O)c1cccc(-n2cccc2)c1.
What is the InChIKey of N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-pyrrol-1-ylbenzamide?
The InChIKey is XDWDDRXMQYVBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-20-11-6-14-24(20)19-10-2-1-9-18(19)22-21(26)16-7-5-8-17(15-16)23-12-3-4-13-23/h1-5,7-10,12-13,15H,6,11,14H2,(H,22,26).
What are the key properties of N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-pyrrol-1-ylbenzamide?
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-pyrrol-1-ylbenzamide has a molecular weight of 345.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 17426523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).