4-(2,5-dimethylpyrrol-1-yl)-N-phenylbenzamide

C19H18N2O — CID 902576

IUPAC4-(2,5-dimethylpyrrol-1-yl)-N-phenylbenzamide
SMILESCc1ccc(C)n1-c1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H18N2O/c1-14-8-9-15(2)21(14)18-12-10-16(11-13-18)19(22)20-17-6-4-3-5-7-17/h3-13H,1-2H3,(H,20,22)
InChIKeyWGINRZXFBHYJOE-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.35
Rot. Bonds3

About 4-(2,5-dimethylpyrrol-1-yl)-N-phenylbenzamide

4-(2,5-dimethylpyrrol-1-yl)-N-phenylbenzamide (PubChem CID 902576) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrrol-1-yl)-N-phenylbenzamide.

Molecular Properties

Compound Name4-(2,5-dimethylpyrrol-1-yl)-N-phenylbenzamide
PubChem CID902576
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name4-(2,5-dimethylpyrrol-1-yl)-N-phenylbenzamide
SMILESCc1ccc(C)n1-c1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H18N2O/c1-14-8-9-15(2)21(14)18-12-10-16(11-13-18)19(22)20-17-6-4-3-5-7-17/h3-13H,1-2H3,(H,20,22)
InChIKeyWGINRZXFBHYJOE-UHFFFAOYSA-N
XLogP4.35
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-N-phenylbenzamide?
The IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-N-phenylbenzamide (CID 902576) is 4-(2,5-dimethylpyrrol-1-yl)-N-phenylbenzamide.
What is the SMILES notation for 4-(2,5-dimethylpyrrol-1-yl)-N-phenylbenzamide?
The canonical SMILES for 4-(2,5-dimethylpyrrol-1-yl)-N-phenylbenzamide is Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-(2,5-dimethylpyrrol-1-yl)-N-phenylbenzamide?
The InChIKey is WGINRZXFBHYJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-14-8-9-15(2)21(14)18-12-10-16(11-13-18)19(22)20-17-6-4-3-5-7-17/h3-13H,1-2H3,(H,20,22).
What are the key properties of 4-(2,5-dimethylpyrrol-1-yl)-N-phenylbenzamide?
4-(2,5-dimethylpyrrol-1-yl)-N-phenylbenzamide has a molecular weight of 290.37 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrrol-1-yl)-N-phenylbenzamide is sourced from PubChem (CID 902576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).