N-benzyl-5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide

C25H20ClFN2O — CID 7307072

IUPACN-benzyl-5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2)cc(-c2ccc(Cl)cc2)n1-c1ccc(F)cc1
InChIInChI=1S/C25H20ClFN2O/c1-17-23(25(30)28-16-18-5-3-2-4-6-18)15-24(19-7-9-20(26)10-8-19)29(17)22-13-11-21(27)12-14-22/h2-15H,16H2,1H3,(H,28,30)
InChIKeyUGWFYZZCOVGUHD-UHFFFAOYSA-N
MW418.90 g/mol
LogP6.18
Rot. Bonds5

About N-benzyl-5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide

N-benzyl-5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide (PubChem CID 7307072) has the molecular formula C25H20ClFN2O and a molecular weight of 418.90 g/mol. Its IUPAC name is N-benzyl-5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
PubChem CID7307072
Molecular FormulaC25H20ClFN2O
Molecular Weight418.90 g/mol
Exact Mass418.12
IUPAC NameN-benzyl-5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2)cc(-c2ccc(Cl)cc2)n1-c1ccc(F)cc1
InChIInChI=1S/C25H20ClFN2O/c1-17-23(25(30)28-16-18-5-3-2-4-6-18)15-24(19-7-9-20(26)10-8-19)29(17)22-13-11-21(27)12-14-22/h2-15H,16H2,1H3,(H,28,30)
InChIKeyUGWFYZZCOVGUHD-UHFFFAOYSA-N
XLogP6.18
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.90
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
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
N-benzyl-2-methyl-1,5-diphenylpyrrole-3-carboxamide
CID 42665700
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
N-benzyl-5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 7307045
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-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 42665713
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide
CID 7213689

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide?
The IUPAC name of N-benzyl-5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide (CID 7307072) is N-benzyl-5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide?
The canonical SMILES for N-benzyl-5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide is Cc1c(C(=O)NCc2ccccc2)cc(-c2ccc(Cl)cc2)n1-c1ccc(F)cc1.
What is the InChIKey of N-benzyl-5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide?
The InChIKey is UGWFYZZCOVGUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN2O/c1-17-23(25(30)28-16-18-5-3-2-4-6-18)15-24(19-7-9-20(26)10-8-19)29(17)22-13-11-21(27)12-14-22/h2-15H,16H2,1H3,(H,28,30).
What are the key properties of N-benzyl-5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide?
N-benzyl-5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide has a molecular weight of 418.90 g/mol, XLogP of 6.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 7307072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).