5-(2-benzylphenyl)-2-methyl-1H-pyrrole-3-carboxamide

C19H18N2O — CID 90413427

IUPAC5-(2-benzylphenyl)-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccccc2Cc2ccccc2)cc1C(N)=O
InChIInChI=1S/C19H18N2O/c1-13-17(19(20)22)12-18(21-13)16-10-6-5-9-15(16)11-14-7-3-2-4-8-14/h2-10,12,21H,11H2,1H3,(H2,20,22)
InChIKeyCERAANXCBLNLNJ-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.68
Rot. Bonds4

About 5-(2-benzylphenyl)-2-methyl-1H-pyrrole-3-carboxamide

5-(2-benzylphenyl)-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 90413427) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-(2-benzylphenyl)-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-benzylphenyl)-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID90413427
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name5-(2-benzylphenyl)-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccccc2Cc2ccccc2)cc1C(N)=O
InChIInChI=1S/C19H18N2O/c1-13-17(19(20)22)12-18(21-13)16-10-6-5-9-15(16)11-14-7-3-2-4-8-14/h2-10,12,21H,11H2,1H3,(H2,20,22)
InChIKeyCERAANXCBLNLNJ-UHFFFAOYSA-N
XLogP3.68
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 5-(2-benzylphenyl)-2-methyl-1H-pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-benzylphenyl)-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(2-benzylphenyl)-2-methyl-1H-pyrrole-3-carboxamide (CID 90413427) is 5-(2-benzylphenyl)-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-benzylphenyl)-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(2-benzylphenyl)-2-methyl-1H-pyrrole-3-carboxamide is Cc1[nH]c(-c2ccccc2Cc2ccccc2)cc1C(N)=O.
What is the InChIKey of 5-(2-benzylphenyl)-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is CERAANXCBLNLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-13-17(19(20)22)12-18(21-13)16-10-6-5-9-15(16)11-14-7-3-2-4-8-14/h2-10,12,21H,11H2,1H3,(H2,20,22).
What are the key properties of 5-(2-benzylphenyl)-2-methyl-1H-pyrrole-3-carboxamide?
5-(2-benzylphenyl)-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-benzylphenyl)-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 90413427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).