2,5-dioxo-3,4-diphenylpyrrole-1-carboxamide

C17H12N2O3 — CID 139747977

IUPAC2,5-dioxo-3,4-diphenylpyrrole-1-carboxamide
SMILESNC(=O)N1C(=O)C(c2ccccc2)=C(c2ccccc2)C1=O
InChIInChI=1S/C17H12N2O3/c18-17(22)19-15(20)13(11-7-3-1-4-8-11)14(16(19)21)12-9-5-2-6-10-12/h1-10H,(H2,18,22)
InChIKeyIAFOFHRTNTWSIJ-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.04
Rot. Bonds2

About 2,5-dioxo-3,4-diphenylpyrrole-1-carboxamide

2,5-dioxo-3,4-diphenylpyrrole-1-carboxamide (PubChem CID 139747977) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2,5-dioxo-3,4-diphenylpyrrole-1-carboxamide.

Molecular Properties

Compound Name2,5-dioxo-3,4-diphenylpyrrole-1-carboxamide
PubChem CID139747977
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name2,5-dioxo-3,4-diphenylpyrrole-1-carboxamide
SMILESNC(=O)N1C(=O)C(c2ccccc2)=C(c2ccccc2)C1=O
InChIInChI=1S/C17H12N2O3/c18-17(22)19-15(20)13(11-7-3-1-4-8-11)14(16(19)21)12-9-5-2-6-10-12/h1-10H,(H2,18,22)
InChIKeyIAFOFHRTNTWSIJ-UHFFFAOYSA-N
XLogP2.04
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-benzylidene-5-oxo-2-phenylimidazole-1-carboxamide
CID 11543853
2,5-dioxo-4-phenylfuran-3-carboxamide
CID 121006156
3,4-diphenyl-1-(trifluoromethylsulfonyl)pyrrole-2,5-dione
CID 151983215
bis(1,1'-biphenyl);carbonate
CID 23514328
2-methyl-2-(3-methyl-5-oxo-4-phenyl-2H-pyrrol-1-yl)propanamide
CID 19025028
ditert-butyl 3,6-dioxo-1,4-diphenylpyrrolo[3,4-c]pyrrole-2,5-dicarboxylate
CID 139206037
1,1'-biphenyl;2-hydroxyacetamide
CID 174302760
bis(benzo[b][1]benzazepine-11-carboxamide);propanedioic acid
CID 139194666
5-amino-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide
CID 123704437
1,1'-biphenyl;propanamide
CID 155213147
4-(1-butyl-2,5-dioxo-4-phenylpyrrol-3-yl)benzoic acid
CID 58822027
ethyl (3E)-2-oxo-3-(2-oxo-5-phenylfuran-3-ylidene)indole-1-carboxylate
CID 101103084

Frequently Asked Questions

What is the IUPAC name of 2,5-dioxo-3,4-diphenylpyrrole-1-carboxamide?
The IUPAC name of 2,5-dioxo-3,4-diphenylpyrrole-1-carboxamide (CID 139747977) is 2,5-dioxo-3,4-diphenylpyrrole-1-carboxamide.
What is the SMILES notation for 2,5-dioxo-3,4-diphenylpyrrole-1-carboxamide?
The canonical SMILES for 2,5-dioxo-3,4-diphenylpyrrole-1-carboxamide is NC(=O)N1C(=O)C(c2ccccc2)=C(c2ccccc2)C1=O.
What is the InChIKey of 2,5-dioxo-3,4-diphenylpyrrole-1-carboxamide?
The InChIKey is IAFOFHRTNTWSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c18-17(22)19-15(20)13(11-7-3-1-4-8-11)14(16(19)21)12-9-5-2-6-10-12/h1-10H,(H2,18,22).
What are the key properties of 2,5-dioxo-3,4-diphenylpyrrole-1-carboxamide?
2,5-dioxo-3,4-diphenylpyrrole-1-carboxamide has a molecular weight of 292.29 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-3,4-diphenylpyrrole-1-carboxamide is sourced from PubChem (CID 139747977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).