N-benzyl-3-[(E)-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)methyl]benzamide

C25H20N2O3 — CID 155516850

IUPACN-benzyl-3-[(E)-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)methyl]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(/C=C2\CC(=O)N(c3ccccc3)C2=O)c1
InChIInChI=1S/C25H20N2O3/c28-23-16-21(25(30)27(23)22-12-5-2-6-13-22)15-19-10-7-11-20(14-19)24(29)26-17-18-8-3-1-4-9-18/h1-15H,16-17H2,(H,26,29)/b21-15+
InChIKeyOJWAPHMXXIDYMP-RCCKNPSSSA-N
MW396.45 g/mol
LogP3.96
Rot. Bonds5

About N-benzyl-3-[(E)-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)methyl]benzamide

N-benzyl-3-[(E)-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)methyl]benzamide (PubChem CID 155516850) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-benzyl-3-[(E)-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)methyl]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[(E)-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)methyl]benzamide
PubChem CID155516850
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC NameN-benzyl-3-[(E)-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)methyl]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(/C=C2\CC(=O)N(c3ccccc3)C2=O)c1
InChIInChI=1S/C25H20N2O3/c28-23-16-21(25(30)27(23)22-12-5-2-6-13-22)15-19-10-7-11-20(14-19)24(29)26-17-18-8-3-1-4-9-18/h1-15H,16-17H2,(H,26,29)/b21-15+
InChIKeyOJWAPHMXXIDYMP-RCCKNPSSSA-N
XLogP3.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-(1-benzyl-2,5-dioxopyrrolidin-3-ylidene)methyl]-N-(4-chlorophenyl)benzamide
CID 155528656
N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
N,N'-bis[3-(benzylcarbamoyl)phenyl]nonanediamide
CID 43887216
3-(2-aminoethyl)-N-benzylbenzamide
CID 62591363
N-benzyl-3-[(1R,2S,6S,7S,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzamide
CID 98330332
N-benzyl-3-[(1R,2S,6R,7S,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzamide
CID 98330331
N-benzyl-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 19132955
N-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 91394219
3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109054092
1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050687
3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 7772353

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(E)-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)methyl]benzamide?
The IUPAC name of N-benzyl-3-[(E)-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)methyl]benzamide (CID 155516850) is N-benzyl-3-[(E)-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)methyl]benzamide.
What is the SMILES notation for N-benzyl-3-[(E)-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)methyl]benzamide?
The canonical SMILES for N-benzyl-3-[(E)-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)methyl]benzamide is O=C(NCc1ccccc1)c1cccc(/C=C2\CC(=O)N(c3ccccc3)C2=O)c1.
What is the InChIKey of N-benzyl-3-[(E)-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)methyl]benzamide?
The InChIKey is OJWAPHMXXIDYMP-RCCKNPSSSA-N. The full InChI is InChI=1S/C25H20N2O3/c28-23-16-21(25(30)27(23)22-12-5-2-6-13-22)15-19-10-7-11-20(14-19)24(29)26-17-18-8-3-1-4-9-18/h1-15H,16-17H2,(H,26,29)/b21-15+.
What are the key properties of N-benzyl-3-[(E)-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)methyl]benzamide?
N-benzyl-3-[(E)-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)methyl]benzamide has a molecular weight of 396.45 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(E)-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)methyl]benzamide is sourced from PubChem (CID 155516850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).