N-benzyl-1-(2,4-difluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide

C25H20F2N2O — CID 24718469

IUPACN-benzyl-1-(2,4-difluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2)cc(-c2ccccc2)n1-c1ccc(F)cc1F
InChIInChI=1S/C25H20F2N2O/c1-17-21(25(30)28-16-18-8-4-2-5-9-18)15-24(19-10-6-3-7-11-19)29(17)23-13-12-20(26)14-22(23)27/h2-15H,16H2,1H3,(H,28,30)
InChIKeyWMYDEJAHLUQZOB-UHFFFAOYSA-N
MW402.44 g/mol
LogP5.66
Rot. Bonds5

About N-benzyl-1-(2,4-difluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide

N-benzyl-1-(2,4-difluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide (PubChem CID 24718469) has the molecular formula C25H20F2N2O and a molecular weight of 402.44 g/mol. Its IUPAC name is N-benzyl-1-(2,4-difluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2,4-difluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
PubChem CID24718469
Molecular FormulaC25H20F2N2O
Molecular Weight402.44 g/mol
Exact Mass402.15
IUPAC NameN-benzyl-1-(2,4-difluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2)cc(-c2ccccc2)n1-c1ccc(F)cc1F
InChIInChI=1S/C25H20F2N2O/c1-17-21(25(30)28-16-18-8-4-2-5-9-18)15-24(19-10-6-3-7-11-19)29(17)23-13-12-20(26)14-22(23)27/h2-15H,16H2,1H3,(H,28,30)
InChIKeyWMYDEJAHLUQZOB-UHFFFAOYSA-N
XLogP5.66
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.44
LogP ≤ 55.66
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

N-benzyl-2-methyl-1,5-diphenylpyrrole-3-carboxamide
CID 42665700
N-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 42665713
N-benzyl-5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 7307072
1-(2,4-difluorophenyl)-2-methyl-5-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide
CID 4315211
N-butyl-1-(2-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 7230351
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 42785293
5-(4-chlorophenyl)-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 42785571
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
5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide
CID 42785570
1-(2-methoxyphenyl)-2-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 42665715
[4-[1-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 42666461

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2,4-difluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide?
The IUPAC name of N-benzyl-1-(2,4-difluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide (CID 24718469) is N-benzyl-1-(2,4-difluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(2,4-difluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide?
The canonical SMILES for N-benzyl-1-(2,4-difluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide is Cc1c(C(=O)NCc2ccccc2)cc(-c2ccccc2)n1-c1ccc(F)cc1F.
What is the InChIKey of N-benzyl-1-(2,4-difluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide?
The InChIKey is WMYDEJAHLUQZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N2O/c1-17-21(25(30)28-16-18-8-4-2-5-9-18)15-24(19-10-6-3-7-11-19)29(17)23-13-12-20(26)14-22(23)27/h2-15H,16H2,1H3,(H,28,30).
What are the key properties of N-benzyl-1-(2,4-difluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide?
N-benzyl-1-(2,4-difluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide has a molecular weight of 402.44 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2,4-difluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 24718469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).