1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)pyrrole-3-carboxamide

C26H23FN2O2 — CID 7230977

IUPAC1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)pyrrole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3)c(C)n2-c2ccccc2F)cc1
InChIInChI=1S/C26H23FN2O2/c1-17-8-12-20(13-9-17)28-26(30)22-16-25(19-10-14-21(31-3)15-11-19)29(18(22)2)24-7-5-4-6-23(24)27/h4-16H,1-3H3,(H,28,30)
InChIKeyXBPGOXMSXVNIBP-UHFFFAOYSA-N
MW414.48 g/mol
LogP6.16
Rot. Bonds5

About 1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)pyrrole-3-carboxamide

1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)pyrrole-3-carboxamide (PubChem CID 7230977) has the molecular formula C26H23FN2O2 and a molecular weight of 414.48 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)pyrrole-3-carboxamide
PubChem CID7230977
Molecular FormulaC26H23FN2O2
Molecular Weight414.48 g/mol
Exact Mass414.17
IUPAC Name1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)pyrrole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3)c(C)n2-c2ccccc2F)cc1
InChIInChI=1S/C26H23FN2O2/c1-17-8-12-20(13-9-17)28-26(30)22-16-25(19-10-14-21(31-3)15-11-19)29(18(22)2)24-7-5-4-6-23(24)27/h4-16H,1-3H3,(H,28,30)
InChIKeyXBPGOXMSXVNIBP-UHFFFAOYSA-N
XLogP6.16
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.48
LogP ≤ 56.16
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

1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 7306819
N-(3,5-dimethoxyphenyl)-4-[1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]piperazine-1-carboxamide
CID 3987229
1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrole-3-carboxamide
CID 7230230
cyclohexyl-[4-[1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]piperazin-1-yl]methanone
CID 42791959
1-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide
CID 7306923
4-[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 3918874
N-benzyl-5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 7307045
2-fluoro-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 759350
(4-benzylpiperidin-1-yl)-[1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrol-3-yl]methanone
CID 42785490
N-(4-ethoxyphenyl)-4-[1-(2-fluorophenyl)-5-(3-methoxyphenyl)-2-methylpyrrole-3-carbonyl]piperazine-1-carboxamide
CID 42789139
1-[4-[1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]piperazin-1-yl]decan-1-one
CID 42791971
1-(2-fluorophenyl)-5-methyl-N-(4-methylphenyl)pyrazole-4-carboxamide
CID 33398860

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)pyrrole-3-carboxamide (CID 7230977) is 1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)pyrrole-3-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3)c(C)n2-c2ccccc2F)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)pyrrole-3-carboxamide?
The InChIKey is XBPGOXMSXVNIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O2/c1-17-8-12-20(13-9-17)28-26(30)22-16-25(19-10-14-21(31-3)15-11-19)29(18(22)2)24-7-5-4-6-23(24)27/h4-16H,1-3H3,(H,28,30).
What are the key properties of 1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)pyrrole-3-carboxamide?
1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)pyrrole-3-carboxamide has a molecular weight of 414.48 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 7230977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).