1-methyl-5-oxo-N,3-diphenyl-2H-pyrrole-4-carboxamide

C18H16N2O2 — CID 176646767

IUPAC1-methyl-5-oxo-N,3-diphenyl-2H-pyrrole-4-carboxamide
SMILESCN1CC(c2ccccc2)=C(C(=O)Nc2ccccc2)C1=O
InChIInChI=1S/C18H16N2O2/c1-20-12-15(13-8-4-2-5-9-13)16(18(20)22)17(21)19-14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,19,21)
InChIKeyJKBOQSAMJSNRMM-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.55
Rot. Bonds3

About 1-methyl-5-oxo-N,3-diphenyl-2H-pyrrole-4-carboxamide

1-methyl-5-oxo-N,3-diphenyl-2H-pyrrole-4-carboxamide (PubChem CID 176646767) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-methyl-5-oxo-N,3-diphenyl-2H-pyrrole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-5-oxo-N,3-diphenyl-2H-pyrrole-4-carboxamide
PubChem CID176646767
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name1-methyl-5-oxo-N,3-diphenyl-2H-pyrrole-4-carboxamide
SMILESCN1CC(c2ccccc2)=C(C(=O)Nc2ccccc2)C1=O
InChIInChI=1S/C18H16N2O2/c1-20-12-15(13-8-4-2-5-9-13)16(18(20)22)17(21)19-14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,19,21)
InChIKeyJKBOQSAMJSNRMM-UHFFFAOYSA-N
XLogP2.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-oxo-N,3-diphenyl-1,2-oxazole-4-carboxamide
CID 110681206
(1Z)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-phenylurea
CID 137225686
4-anilino-2,5-dioxo-N,1-diphenylpyrrole-3-carboxamide
CID 134087977
4-methyl-2,6-dioxo-1-(2-phenoxyethyl)-N-phenyl-3H-pyridine-5-carboxamide
CID 70538135
4-chloro-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide
CID 11748395
4-anilino-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide
CID 11727816
1-methyl-N-phenylpyrrole-3-carboxamide
CID 110762710
1-methyl-2,2-dioxo-N,4-diphenyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592084
4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54676449
1,3-dimethyl-4-oxo-N-phenylpyridine-2-carboxamide
CID 23255451
3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane
CID 90892974
(3S)-1-methyl-2-oxo-N-phenylpyrrolidine-3-carboxamide
CID 129405236

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-oxo-N,3-diphenyl-2H-pyrrole-4-carboxamide?
The IUPAC name of 1-methyl-5-oxo-N,3-diphenyl-2H-pyrrole-4-carboxamide (CID 176646767) is 1-methyl-5-oxo-N,3-diphenyl-2H-pyrrole-4-carboxamide.
What is the SMILES notation for 1-methyl-5-oxo-N,3-diphenyl-2H-pyrrole-4-carboxamide?
The canonical SMILES for 1-methyl-5-oxo-N,3-diphenyl-2H-pyrrole-4-carboxamide is CN1CC(c2ccccc2)=C(C(=O)Nc2ccccc2)C1=O.
What is the InChIKey of 1-methyl-5-oxo-N,3-diphenyl-2H-pyrrole-4-carboxamide?
The InChIKey is JKBOQSAMJSNRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-20-12-15(13-8-4-2-5-9-13)16(18(20)22)17(21)19-14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,19,21).
What are the key properties of 1-methyl-5-oxo-N,3-diphenyl-2H-pyrrole-4-carboxamide?
1-methyl-5-oxo-N,3-diphenyl-2H-pyrrole-4-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-oxo-N,3-diphenyl-2H-pyrrole-4-carboxamide is sourced from PubChem (CID 176646767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).