5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide

C24H19ClFN3O — CID 42785570

IUPAC5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide
SMILESCc1c(C(=O)NCc2ccncc2)cc(-c2ccc(Cl)cc2)n1-c1ccc(F)cc1
InChIInChI=1S/C24H19ClFN3O/c1-16-22(24(30)28-15-17-10-12-27-13-11-17)14-23(18-2-4-19(25)5-3-18)29(16)21-8-6-20(26)7-9-21/h2-14H,15H2,1H3,(H,28,30)
InChIKeyYHXZFKYJGOJBAD-UHFFFAOYSA-N
MW419.89 g/mol
LogP5.57
Rot. Bonds5

About 5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide

5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide (PubChem CID 42785570) has the molecular formula C24H19ClFN3O and a molecular weight of 419.89 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide
PubChem CID42785570
Molecular FormulaC24H19ClFN3O
Molecular Weight419.89 g/mol
Exact Mass419.12
IUPAC Name5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide
SMILESCc1c(C(=O)NCc2ccncc2)cc(-c2ccc(Cl)cc2)n1-c1ccc(F)cc1
InChIInChI=1S/C24H19ClFN3O/c1-16-22(24(30)28-15-17-10-12-27-13-11-17)14-23(18-2-4-19(25)5-3-18)29(16)21-8-6-20(26)7-9-21/h2-14H,15H2,1H3,(H,28,30)
InChIKeyYHXZFKYJGOJBAD-UHFFFAOYSA-N
XLogP5.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.89
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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-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
5-(4-chlorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110336244
N-benzyl-1-(2,4-difluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 24718469
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide
CID 7307046
1-(4-fluorophenyl)-2-methyl-5-phenyl-N-propylpyrrole-3-carboxamide
CID 7212800
N-benzyl-5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 7307045
N-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 42665713

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide (CID 42785570) is 5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide is Cc1c(C(=O)NCc2ccncc2)cc(-c2ccc(Cl)cc2)n1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is YHXZFKYJGOJBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3O/c1-16-22(24(30)28-15-17-10-12-27-13-11-17)14-23(18-2-4-19(25)5-3-18)29(16)21-8-6-20(26)7-9-21/h2-14H,15H2,1H3,(H,28,30).
What are the key properties of 5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide?
5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 419.89 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 42785570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).