4-ethyl-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide

C19H23FN2O — CID 42810306

IUPAC4-ethyl-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide
SMILESC=CCn1c(C)c(CC)c(C)c1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H23FN2O/c1-5-11-22-14(4)17(6-2)13(3)18(22)19(23)21-12-15-7-9-16(20)10-8-15/h5,7-10H,1,6,11-12H2,2-4H3,(H,21,23)
InChIKeyUKDDOGHDOFDARE-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.92
Rot. Bonds6

About 4-ethyl-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide

4-ethyl-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide (PubChem CID 42810306) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 4-ethyl-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide
PubChem CID42810306
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name4-ethyl-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide
SMILESC=CCn1c(C)c(CC)c(C)c1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H23FN2O/c1-5-11-22-14(4)17(6-2)13(3)18(22)19(23)21-12-15-7-9-16(20)10-8-15/h5,7-10H,1,6,11-12H2,2-4H3,(H,21,23)
InChIKeyUKDDOGHDOFDARE-UHFFFAOYSA-N
XLogP3.92
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.92
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-[(2,4-difluorophenyl)methyl]-4-ethyl-N-[(4-fluorophenyl)methyl]-3,5-dimethylpyrrole-2-carboxamide
CID 42810113
N-[(4-fluorophenyl)methyl]-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide
CID 7887005
4-ethyl-1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 24718292
1-[(2,6-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrole-2-carboxamide
CID 42792470
N-[(4-chlorophenyl)methyl]-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
CID 110497639
2-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 50802507
N-[(4-fluorophenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54679686
1-ethyl-N-[(4-fluorophenyl)methyl]-6-oxopyridine-2-carboxamide
CID 158947897
N-[(4-fluorophenyl)methyl]-2-[[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide
CID 91635349
N-[(4-fluorophenyl)methyl]-2,3-dimethylpyridine-4-carboxamide
CID 110851337
3-butoxy-5-N-[(4-fluorophenyl)methyl]-2-N-(2-methoxyethyl)-4-oxo-1-prop-2-enylpyridine-2,5-dicarboxamide
CID 89003280
3-[(4-fluorophenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108867664

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide?
The IUPAC name of 4-ethyl-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide (CID 42810306) is 4-ethyl-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide is C=CCn1c(C)c(CC)c(C)c1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 4-ethyl-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide?
The InChIKey is UKDDOGHDOFDARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-5-11-22-14(4)17(6-2)13(3)18(22)19(23)21-12-15-7-9-16(20)10-8-15/h5,7-10H,1,6,11-12H2,2-4H3,(H,21,23).
What are the key properties of 4-ethyl-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide?
4-ethyl-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide has a molecular weight of 314.40 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide is sourced from PubChem (CID 42810306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).