1-(4-fluorophenyl)-2-methyl-5-phenyl-N-propylpyrrole-3-carboxamide

C21H21FN2O — CID 7212800

IUPAC1-(4-fluorophenyl)-2-methyl-5-phenyl-N-propylpyrrole-3-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccccc2)n(-c2ccc(F)cc2)c1C
InChIInChI=1S/C21H21FN2O/c1-3-13-23-21(25)19-14-20(16-7-5-4-6-8-16)24(15(19)2)18-11-9-17(22)10-12-18/h4-12,14H,3,13H2,1-2H3,(H,23,25)
InChIKeySEEKHCCJSNJZGM-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.73
Rot. Bonds5

About 1-(4-fluorophenyl)-2-methyl-5-phenyl-N-propylpyrrole-3-carboxamide

1-(4-fluorophenyl)-2-methyl-5-phenyl-N-propylpyrrole-3-carboxamide (PubChem CID 7212800) has the molecular formula C21H21FN2O and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-methyl-5-phenyl-N-propylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-methyl-5-phenyl-N-propylpyrrole-3-carboxamide
PubChem CID7212800
Molecular FormulaC21H21FN2O
Molecular Weight336.41 g/mol
Exact Mass336.16
IUPAC Name1-(4-fluorophenyl)-2-methyl-5-phenyl-N-propylpyrrole-3-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccccc2)n(-c2ccc(F)cc2)c1C
InChIInChI=1S/C21H21FN2O/c1-3-13-23-21(25)19-14-20(16-7-5-4-6-8-16)24(15(19)2)18-11-9-17(22)10-12-18/h4-12,14H,3,13H2,1-2H3,(H,23,25)
InChIKeySEEKHCCJSNJZGM-UHFFFAOYSA-N
XLogP4.73
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-fluorophenyl)-2-methyl-5-phenyl-N-propylpyrrole-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)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide
CID 7307046
1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxylic acid
CID 58358774
N-butyl-1-(2-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 7230351
N-benzyl-5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 7307072
methyl 1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxylate
CID 102252856
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 42785293
2-[[5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carbonyl]amino]ethyl-dimethylazanium
CID 7306703
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 45278885
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-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 45278886
5-(4-chlorophenyl)-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 42785571

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-methyl-5-phenyl-N-propylpyrrole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-2-methyl-5-phenyl-N-propylpyrrole-3-carboxamide (CID 7212800) is 1-(4-fluorophenyl)-2-methyl-5-phenyl-N-propylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-2-methyl-5-phenyl-N-propylpyrrole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-2-methyl-5-phenyl-N-propylpyrrole-3-carboxamide is CCCNC(=O)c1cc(-c2ccccc2)n(-c2ccc(F)cc2)c1C.
What is the InChIKey of 1-(4-fluorophenyl)-2-methyl-5-phenyl-N-propylpyrrole-3-carboxamide?
The InChIKey is SEEKHCCJSNJZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O/c1-3-13-23-21(25)19-14-20(16-7-5-4-6-8-16)24(15(19)2)18-11-9-17(22)10-12-18/h4-12,14H,3,13H2,1-2H3,(H,23,25).
What are the key properties of 1-(4-fluorophenyl)-2-methyl-5-phenyl-N-propylpyrrole-3-carboxamide?
1-(4-fluorophenyl)-2-methyl-5-phenyl-N-propylpyrrole-3-carboxamide has a molecular weight of 336.41 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-methyl-5-phenyl-N-propylpyrrole-3-carboxamide is sourced from PubChem (CID 7212800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).