5-ethyl-4-(3-fluorophenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide

C17H19FN2O — CID 3571348

IUPAC5-ethyl-4-(3-fluorophenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide
SMILESC=CCn1c(C)c(C(N)=O)c(-c2cccc(F)c2)c1CC
InChIInChI=1S/C17H19FN2O/c1-4-9-20-11(3)15(17(19)21)16(14(20)5-2)12-7-6-8-13(18)10-12/h4,6-8,10H,1,5,9H2,2-3H3,(H2,19,21)
InChIKeyISODCZSEZADFTE-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.45
Rot. Bonds5

About 5-ethyl-4-(3-fluorophenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide

5-ethyl-4-(3-fluorophenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide (PubChem CID 3571348) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 5-ethyl-4-(3-fluorophenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-(3-fluorophenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide
PubChem CID3571348
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name5-ethyl-4-(3-fluorophenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide
SMILESC=CCn1c(C)c(C(N)=O)c(-c2cccc(F)c2)c1CC
InChIInChI=1S/C17H19FN2O/c1-4-9-20-11(3)15(17(19)21)16(14(20)5-2)12-7-6-8-13(18)10-12/h4,6-8,10H,1,5,9H2,2-3H3,(H2,19,21)
InChIKeyISODCZSEZADFTE-UHFFFAOYSA-N
XLogP3.45
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,5-dibutyl-4-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 3748139
5-ethyl-4-(4-methoxyphenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide
CID 3696850
4-(3-fluorophenyl)-2-methyl-5-pentyl-1-propylpyrrole-3-carboxamide
CID 3697404
methyl 4-(4-carbamoyl-2-ethyl-5-methyl-1-prop-2-enylpyrrol-3-yl)benzoate
CID 3678041
1-(3,3-dimethylbutyl)-4-(3-fluorophenyl)-2-methyl-5-propylpyrrole-3-carboxamide
CID 3445576
5-butyl-2-methyl-4-(4-methylphenyl)-1-prop-2-enylpyrrole-3-carboxamide
CID 3766755
methyl 3-[4-carbamoyl-5-methyl-3-(4-phenylphenyl)-1-prop-2-enylpyrrol-2-yl]propanoate
CID 3853015
1-[(3,4-difluorophenyl)methyl]-5-ethyl-2-methyl-4-phenylpyrrole-3-carboxamide
CID 3773581
4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-prop-2-enylpyrrole-3-carboxamide
CID 3340286
4-(3-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3691039
4-(3-fluorophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-propylpyrrole-3-carboxamide
CID 3746110
1-butyl-5-ethyl-2-methyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide
CID 5100318

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(3-fluorophenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide?
The IUPAC name of 5-ethyl-4-(3-fluorophenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide (CID 3571348) is 5-ethyl-4-(3-fluorophenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide.
What is the SMILES notation for 5-ethyl-4-(3-fluorophenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide?
The canonical SMILES for 5-ethyl-4-(3-fluorophenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide is C=CCn1c(C)c(C(N)=O)c(-c2cccc(F)c2)c1CC.
What is the InChIKey of 5-ethyl-4-(3-fluorophenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide?
The InChIKey is ISODCZSEZADFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-4-9-20-11(3)15(17(19)21)16(14(20)5-2)12-7-6-8-13(18)10-12/h4,6-8,10H,1,5,9H2,2-3H3,(H2,19,21).
What are the key properties of 5-ethyl-4-(3-fluorophenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide?
5-ethyl-4-(3-fluorophenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide has a molecular weight of 286.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(3-fluorophenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide is sourced from PubChem (CID 3571348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).