N-benzyl-2-methyl-1,5-diphenylpyrrole-3-carboxamide

C25H22N2O — CID 42665700

IUPACN-benzyl-2-methyl-1,5-diphenylpyrrole-3-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2)cc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C25H22N2O/c1-19-23(25(28)26-18-20-11-5-2-6-12-20)17-24(21-13-7-3-8-14-21)27(19)22-15-9-4-10-16-22/h2-17H,18H2,1H3,(H,26,28)
InChIKeyXFFXYPRZNGYOIB-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.38
Rot. Bonds5

About N-benzyl-2-methyl-1,5-diphenylpyrrole-3-carboxamide

N-benzyl-2-methyl-1,5-diphenylpyrrole-3-carboxamide (PubChem CID 42665700) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is N-benzyl-2-methyl-1,5-diphenylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-1,5-diphenylpyrrole-3-carboxamide
PubChem CID42665700
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC NameN-benzyl-2-methyl-1,5-diphenylpyrrole-3-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2)cc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C25H22N2O/c1-19-23(25(28)26-18-20-11-5-2-6-12-20)17-24(21-13-7-3-8-14-21)27(19)22-15-9-4-10-16-22/h2-17H,18H2,1H3,(H,26,28)
InChIKeyXFFXYPRZNGYOIB-UHFFFAOYSA-N
XLogP5.38
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 7307045
N-benzyl-5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 7307072
N-benzyl-1-(2,4-difluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 24718469
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 42785293
N-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 42665713
5-(4-chlorophenyl)-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 42785571
1-(4-fluorophenyl)-2-methyl-5-phenyl-N-propylpyrrole-3-carboxamide
CID 7212800
1-(3-methoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 42785432
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide
CID 7213689
N-butyl-1-(2-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 7230351
5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-phenylpyrrole-3-carboxamide
CID 7213183
5-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 7306840

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-1,5-diphenylpyrrole-3-carboxamide?
The IUPAC name of N-benzyl-2-methyl-1,5-diphenylpyrrole-3-carboxamide (CID 42665700) is N-benzyl-2-methyl-1,5-diphenylpyrrole-3-carboxamide.
What is the SMILES notation for N-benzyl-2-methyl-1,5-diphenylpyrrole-3-carboxamide?
The canonical SMILES for N-benzyl-2-methyl-1,5-diphenylpyrrole-3-carboxamide is Cc1c(C(=O)NCc2ccccc2)cc(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of N-benzyl-2-methyl-1,5-diphenylpyrrole-3-carboxamide?
The InChIKey is XFFXYPRZNGYOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O/c1-19-23(25(28)26-18-20-11-5-2-6-12-20)17-24(21-13-7-3-8-14-21)27(19)22-15-9-4-10-16-22/h2-17H,18H2,1H3,(H,26,28).
What are the key properties of N-benzyl-2-methyl-1,5-diphenylpyrrole-3-carboxamide?
N-benzyl-2-methyl-1,5-diphenylpyrrole-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-1,5-diphenylpyrrole-3-carboxamide is sourced from PubChem (CID 42665700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).