N-(4-methoxyphenyl)-2-methyl-1,5-diphenylpyrrole-3-carboxamide

C25H22N2O2 — CID 2742316

IUPACN-(4-methoxyphenyl)-2-methyl-1,5-diphenylpyrrole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)c2C)cc1
InChIInChI=1S/C25H22N2O2/c1-18-23(25(28)26-20-13-15-22(29-2)16-14-20)17-24(19-9-5-3-6-10-19)27(18)21-11-7-4-8-12-21/h3-17H,1-2H3,(H,26,28)
InChIKeySADCCVAYSRPGBM-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.71
Rot. Bonds5

About N-(4-methoxyphenyl)-2-methyl-1,5-diphenylpyrrole-3-carboxamide

N-(4-methoxyphenyl)-2-methyl-1,5-diphenylpyrrole-3-carboxamide (PubChem CID 2742316) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-methyl-1,5-diphenylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-methyl-1,5-diphenylpyrrole-3-carboxamide
PubChem CID2742316
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC NameN-(4-methoxyphenyl)-2-methyl-1,5-diphenylpyrrole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)c2C)cc1
InChIInChI=1S/C25H22N2O2/c1-18-23(25(28)26-20-13-15-22(29-2)16-14-20)17-24(19-9-5-3-6-10-19)27(18)21-11-7-4-8-12-21/h3-17H,1-2H3,(H,26,28)
InChIKeySADCCVAYSRPGBM-UHFFFAOYSA-N
XLogP5.71
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-methyl-1,5-diphenylpyrrole-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-methyl-1,5-diphenylpyrrole-3-carboxamide (CID 2742316) is N-(4-methoxyphenyl)-2-methyl-1,5-diphenylpyrrole-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-methyl-1,5-diphenylpyrrole-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-methyl-1,5-diphenylpyrrole-3-carboxamide is COc1ccc(NC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)c2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-methyl-1,5-diphenylpyrrole-3-carboxamide?
The InChIKey is SADCCVAYSRPGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-18-23(25(28)26-20-13-15-22(29-2)16-14-20)17-24(19-9-5-3-6-10-19)27(18)21-11-7-4-8-12-21/h3-17H,1-2H3,(H,26,28).
What are the key properties of N-(4-methoxyphenyl)-2-methyl-1,5-diphenylpyrrole-3-carboxamide?
N-(4-methoxyphenyl)-2-methyl-1,5-diphenylpyrrole-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-methyl-1,5-diphenylpyrrole-3-carboxamide is sourced from PubChem (CID 2742316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).