1,5-dibutyl-4-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide

C20H27FN2O — CID 3748139

IUPAC1,5-dibutyl-4-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide
SMILESCCCCc1c(-c2cccc(F)c2)c(C(N)=O)c(C)n1CCCC
InChIInChI=1S/C20H27FN2O/c1-4-6-11-17-19(15-9-8-10-16(21)13-15)18(20(22)24)14(3)23(17)12-7-5-2/h8-10,13H,4-7,11-12H2,1-3H3,(H2,22,24)
InChIKeyDGSQRHUUWWSAQD-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.84
Rot. Bonds8

About 1,5-dibutyl-4-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide

1,5-dibutyl-4-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide (PubChem CID 3748139) has the molecular formula C20H27FN2O and a molecular weight of 330.45 g/mol. Its IUPAC name is 1,5-dibutyl-4-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1,5-dibutyl-4-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide
PubChem CID3748139
Molecular FormulaC20H27FN2O
Molecular Weight330.45 g/mol
Exact Mass330.21
IUPAC Name1,5-dibutyl-4-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide
SMILESCCCCc1c(-c2cccc(F)c2)c(C(N)=O)c(C)n1CCCC
InChIInChI=1S/C20H27FN2O/c1-4-6-11-17-19(15-9-8-10-16(21)13-15)18(20(22)24)14(3)23(17)12-7-5-2/h8-10,13H,4-7,11-12H2,1-3H3,(H2,22,24)
InChIKeyDGSQRHUUWWSAQD-UHFFFAOYSA-N
XLogP4.84
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-fluorophenyl)-2-methyl-5-pentyl-1-propylpyrrole-3-carboxamide
CID 3697404
1-(3,3-dimethylbutyl)-4-(3-fluorophenyl)-2-methyl-5-propylpyrrole-3-carboxamide
CID 3445576
5-butyl-2-methyl-4-phenyl-1-undecylpyrrole-3-carboxamide
CID 3864834
4-(3-fluorophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-propylpyrrole-3-carboxamide
CID 3746110
4-(3-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3691039
1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3744481
1,5-dibutyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3748147
5-ethyl-4-(3-fluorophenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide
CID 3571348
1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3748137
1-butyl-5-ethyl-2-methyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide
CID 5100318
2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3815467
4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-pentylpyrrole-3-carboxamide
CID 3480119

Frequently Asked Questions

What is the IUPAC name of 1,5-dibutyl-4-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide?
The IUPAC name of 1,5-dibutyl-4-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide (CID 3748139) is 1,5-dibutyl-4-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 1,5-dibutyl-4-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 1,5-dibutyl-4-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide is CCCCc1c(-c2cccc(F)c2)c(C(N)=O)c(C)n1CCCC.
What is the InChIKey of 1,5-dibutyl-4-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide?
The InChIKey is DGSQRHUUWWSAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O/c1-4-6-11-17-19(15-9-8-10-16(21)13-15)18(20(22)24)14(3)23(17)12-7-5-2/h8-10,13H,4-7,11-12H2,1-3H3,(H2,22,24).
What are the key properties of 1,5-dibutyl-4-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide?
1,5-dibutyl-4-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibutyl-4-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 3748139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).