3-(2-oxopyrrolidin-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide

C19H17N5O2 — CID 75398220

IUPAC3-(2-oxopyrrolidin-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide
SMILESO=C(Nc1nncn1-c1ccccc1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C19H17N5O2/c25-17-10-5-11-23(17)16-9-4-6-14(12-16)18(26)21-19-22-20-13-24(19)15-7-2-1-3-8-15/h1-4,6-9,12-13H,5,10-11H2,(H,21,22,26)
InChIKeyLWEQTPUOSHOVCA-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.65
Rot. Bonds4

About 3-(2-oxopyrrolidin-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide

3-(2-oxopyrrolidin-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 75398220) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-(2-oxopyrrolidin-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name3-(2-oxopyrrolidin-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide
PubChem CID75398220
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name3-(2-oxopyrrolidin-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide
SMILESO=C(Nc1nncn1-c1ccccc1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C19H17N5O2/c25-17-10-5-11-23(17)16-9-4-6-14(12-16)18(26)21-19-22-20-13-24(19)15-7-2-1-3-8-15/h1-4,6-9,12-13H,5,10-11H2,(H,21,22,26)
InChIKeyLWEQTPUOSHOVCA-UHFFFAOYSA-N
XLogP2.65
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide
CID 51251631
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
N-(4-carbamoylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 35133090
N-(2,6-difluorophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 93174706
N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
1-[3-(1-hydroxyethenyl)phenyl]pyrrolidin-2-one
CID 70316561
N-(5-methyl-2-pyridinyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 51250769
2-cyclopropyl-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid
CID 119213332
N-(4-phenyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide
CID 75445136
N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816876
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55564005

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide (CID 75398220) is 3-(2-oxopyrrolidin-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 3-(2-oxopyrrolidin-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 3-(2-oxopyrrolidin-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide is O=C(Nc1nncn1-c1ccccc1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of 3-(2-oxopyrrolidin-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is LWEQTPUOSHOVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c25-17-10-5-11-23(17)16-9-4-6-14(12-16)18(26)21-19-22-20-13-24(19)15-7-2-1-3-8-15/h1-4,6-9,12-13H,5,10-11H2,(H,21,22,26).
What are the key properties of 3-(2-oxopyrrolidin-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide?
3-(2-oxopyrrolidin-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 347.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopyrrolidin-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 75398220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).