N-butyl-1-(2-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide

C22H23FN2O — CID 7230351

IUPACN-butyl-1-(2-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
SMILESCCCCNC(=O)c1cc(-c2ccccc2)n(-c2ccccc2F)c1C
InChIInChI=1S/C22H23FN2O/c1-3-4-14-24-22(26)18-15-21(17-10-6-5-7-11-17)25(16(18)2)20-13-9-8-12-19(20)23/h5-13,15H,3-4,14H2,1-2H3,(H,24,26)
InChIKeyUWCAZZJLHWGVPD-UHFFFAOYSA-N
MW350.44 g/mol
LogP5.12
Rot. Bonds6

About N-butyl-1-(2-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide

N-butyl-1-(2-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide (PubChem CID 7230351) has the molecular formula C22H23FN2O and a molecular weight of 350.44 g/mol. Its IUPAC name is N-butyl-1-(2-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(2-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
PubChem CID7230351
Molecular FormulaC22H23FN2O
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC NameN-butyl-1-(2-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
SMILESCCCCNC(=O)c1cc(-c2ccccc2)n(-c2ccccc2F)c1C
InChIInChI=1S/C22H23FN2O/c1-3-4-14-24-22(26)18-15-21(17-10-6-5-7-11-17)25(16(18)2)20-13-9-8-12-19(20)23/h5-13,15H,3-4,14H2,1-2H3,(H,24,26)
InChIKeyUWCAZZJLHWGVPD-UHFFFAOYSA-N
XLogP5.12
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-(2-chlorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 7213171
1-(4-fluorophenyl)-2-methyl-5-phenyl-N-propylpyrrole-3-carboxamide
CID 7212800
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-(2-chlorophenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide
CID 7288841
N-(3,3-diphenylpropyl)-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 4579764
1-(2-methoxyphenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide
CID 7230876
ethyl 4-[1-(2-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carbonyl]piperazine-1-carboxylate
CID 42665692
N-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 42665713
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 45278885
1-(3-methoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 42785432
1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 7306819

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide?
The IUPAC name of N-butyl-1-(2-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide (CID 7230351) is N-butyl-1-(2-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide.
What is the SMILES notation for N-butyl-1-(2-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide?
The canonical SMILES for N-butyl-1-(2-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide is CCCCNC(=O)c1cc(-c2ccccc2)n(-c2ccccc2F)c1C.
What is the InChIKey of N-butyl-1-(2-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide?
The InChIKey is UWCAZZJLHWGVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O/c1-3-4-14-24-22(26)18-15-21(17-10-6-5-7-11-17)25(16(18)2)20-13-9-8-12-19(20)23/h5-13,15H,3-4,14H2,1-2H3,(H,24,26).
What are the key properties of N-butyl-1-(2-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide?
N-butyl-1-(2-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 7230351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).