5-(4-chlorophenyl)-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxamide

C25H19ClF2N2O — CID 42785571

IUPAC5-(4-chlorophenyl)-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxamide
SMILESCc1c(C(=O)NCc2ccc(F)cc2)cc(-c2ccc(Cl)cc2)n1-c1ccc(F)cc1
InChIInChI=1S/C25H19ClF2N2O/c1-16-23(25(31)29-15-17-2-8-20(27)9-3-17)14-24(18-4-6-19(26)7-5-18)30(16)22-12-10-21(28)11-13-22/h2-14H,15H2,1H3,(H,29,31)
InChIKeyVZLMKMXCHPKINE-UHFFFAOYSA-N
MW436.89 g/mol
LogP6.31
Rot. Bonds5

About 5-(4-chlorophenyl)-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxamide

5-(4-chlorophenyl)-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxamide (PubChem CID 42785571) has the molecular formula C25H19ClF2N2O and a molecular weight of 436.89 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxamide
PubChem CID42785571
Molecular FormulaC25H19ClF2N2O
Molecular Weight436.89 g/mol
Exact Mass436.12
IUPAC Name5-(4-chlorophenyl)-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxamide
SMILESCc1c(C(=O)NCc2ccc(F)cc2)cc(-c2ccc(Cl)cc2)n1-c1ccc(F)cc1
InChIInChI=1S/C25H19ClF2N2O/c1-16-23(25(31)29-15-17-2-8-20(27)9-3-17)14-24(18-4-6-19(26)7-5-18)30(16)22-12-10-21(28)11-13-22/h2-14H,15H2,1H3,(H,29,31)
InChIKeyVZLMKMXCHPKINE-UHFFFAOYSA-N
XLogP6.31
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.89
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 42785293
5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)pyrrole-3-carboxamide
CID 7307029
2-[[5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carbonyl]amino]ethyl-dimethylazanium
CID 7306703
N-benzyl-2-methyl-1,5-diphenylpyrrole-3-carboxamide
CID 42665700
N-benzyl-1-(2,4-difluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 24718469
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)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide
CID 7307046
N-benzyl-5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 7307045
5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 7212618

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxamide (CID 42785571) is 5-(4-chlorophenyl)-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxamide is Cc1c(C(=O)NCc2ccc(F)cc2)cc(-c2ccc(Cl)cc2)n1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxamide?
The InChIKey is VZLMKMXCHPKINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF2N2O/c1-16-23(25(31)29-15-17-2-8-20(27)9-3-17)14-24(18-4-6-19(26)7-5-18)30(16)22-12-10-21(28)11-13-22/h2-14H,15H2,1H3,(H,29,31).
What are the key properties of 5-(4-chlorophenyl)-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxamide?
5-(4-chlorophenyl)-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxamide has a molecular weight of 436.89 g/mol, XLogP of 6.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 42785571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).