5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide

C26H22F2N2O — CID 42785293

IUPAC5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
SMILESCc1ccc(-n2c(-c3ccc(F)cc3)cc(C(=O)NCc3ccc(F)cc3)c2C)cc1
InChIInChI=1S/C26H22F2N2O/c1-17-3-13-23(14-4-17)30-18(2)24(15-25(30)20-7-11-22(28)12-8-20)26(31)29-16-19-5-9-21(27)10-6-19/h3-15H,16H2,1-2H3,(H,29,31)
InChIKeyUKMIIVAOUSOWTJ-UHFFFAOYSA-N
MW416.47 g/mol
LogP5.97
Rot. Bonds5

About 5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide

5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide (PubChem CID 42785293) has the molecular formula C26H22F2N2O and a molecular weight of 416.47 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
PubChem CID42785293
Molecular FormulaC26H22F2N2O
Molecular Weight416.47 g/mol
Exact Mass416.17
IUPAC Name5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
SMILESCc1ccc(-n2c(-c3ccc(F)cc3)cc(C(=O)NCc3ccc(F)cc3)c2C)cc1
InChIInChI=1S/C26H22F2N2O/c1-17-3-13-23(14-4-17)30-18(2)24(15-25(30)20-7-11-22(28)12-8-20)26(31)29-16-19-5-9-21(27)10-6-19/h3-15H,16H2,1-2H3,(H,29,31)
InChIKeyUKMIIVAOUSOWTJ-UHFFFAOYSA-N
XLogP5.97
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.47
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)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

Related Compounds

5-(4-chlorophenyl)-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 42785571
N-benzyl-5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 7307072
5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide
CID 42785570
N-benzyl-5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 7307045
N-benzyl-2-methyl-1,5-diphenylpyrrole-3-carboxamide
CID 42665700
5-(4-fluorophenyl)-2-methyl-1-(4-methylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide
CID 7289303
N-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 42665713
1-(4-fluorophenyl)-2-methyl-5-phenyl-N-propylpyrrole-3-carboxamide
CID 7212800
5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)pyrrole-3-carboxamide
CID 7307029
N-benzyl-1-(2,4-difluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 24718469
2-[[5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carbonyl]amino]ethyl-dimethylazanium
CID 7306703
1,2,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrole-3-carboxamide
CID 110691242

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide (CID 42785293) is 5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide is Cc1ccc(-n2c(-c3ccc(F)cc3)cc(C(=O)NCc3ccc(F)cc3)c2C)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide?
The InChIKey is UKMIIVAOUSOWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N2O/c1-17-3-13-23(14-4-17)30-18(2)24(15-25(30)20-7-11-22(28)12-8-20)26(31)29-16-19-5-9-21(27)10-6-19/h3-15H,16H2,1-2H3,(H,29,31).
What are the key properties of 5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide?
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide has a molecular weight of 416.47 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 42785293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).