4-ethenyl-2-(4-fluorophenyl)-N-pentyl-2,5-dihydrofuran-3-carboxamide

C18H22FNO2 — CID 57328559

IUPAC4-ethenyl-2-(4-fluorophenyl)-N-pentyl-2,5-dihydrofuran-3-carboxamide
SMILESC=CC1=C(C(=O)NCCCCC)C(c2ccc(F)cc2)OC1
InChIInChI=1S/C18H22FNO2/c1-3-5-6-11-20-18(21)16-13(4-2)12-22-17(16)14-7-9-15(19)10-8-14/h4,7-10,17H,2-3,5-6,11-12H2,1H3,(H,20,21)
InChIKeyBVIGRNOOGXQPTF-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.69
Rot. Bonds7

About 4-ethenyl-2-(4-fluorophenyl)-N-pentyl-2,5-dihydrofuran-3-carboxamide

4-ethenyl-2-(4-fluorophenyl)-N-pentyl-2,5-dihydrofuran-3-carboxamide (PubChem CID 57328559) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is 4-ethenyl-2-(4-fluorophenyl)-N-pentyl-2,5-dihydrofuran-3-carboxamide.

Molecular Properties

Compound Name4-ethenyl-2-(4-fluorophenyl)-N-pentyl-2,5-dihydrofuran-3-carboxamide
PubChem CID57328559
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name4-ethenyl-2-(4-fluorophenyl)-N-pentyl-2,5-dihydrofuran-3-carboxamide
SMILESC=CC1=C(C(=O)NCCCCC)C(c2ccc(F)cc2)OC1
InChIInChI=1S/C18H22FNO2/c1-3-5-6-11-20-18(21)16-13(4-2)12-22-17(16)14-7-9-15(19)10-8-14/h4,7-10,17H,2-3,5-6,11-12H2,1H3,(H,20,21)
InChIKeyBVIGRNOOGXQPTF-UHFFFAOYSA-N
XLogP3.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-(Cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2,6-difluorobenzoate
CID 3976873
N-[(2R,4R)-1,4-dimethoxy-4-phenylbutan-2-yl]dodecanamide
CID 10872865
N-benzyl-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide
CID 57328407
4-ethenyl-2-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-2,5-dihydrofuran-3-carboxamide
CID 57328481
4-ethenyl-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-2,5-dihydrofuran-3-carboxamide
CID 57328483
N-[(4-chlorophenyl)methyl]-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide
CID 57328484
4-ethenyl-2-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-2,5-dihydrofuran-3-carboxamide
CID 57328485
4-ethenyl-2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-2,5-dihydrofuran-3-carboxamide
CID 57328486
4-ethenyl-2-(4-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]-2,5-dihydrofuran-3-carboxamide
CID 57328487
4-ethenyl-2-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-2,5-dihydrofuran-3-carboxamide
CID 57328556
N-cyclohexyl-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide
CID 57328557
4-ethenyl-2-(4-fluorophenyl)-N-propyl-2,5-dihydrofuran-3-carboxamide
CID 57328558

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-(4-fluorophenyl)-N-pentyl-2,5-dihydrofuran-3-carboxamide?
The IUPAC name of 4-ethenyl-2-(4-fluorophenyl)-N-pentyl-2,5-dihydrofuran-3-carboxamide (CID 57328559) is 4-ethenyl-2-(4-fluorophenyl)-N-pentyl-2,5-dihydrofuran-3-carboxamide.
What is the SMILES notation for 4-ethenyl-2-(4-fluorophenyl)-N-pentyl-2,5-dihydrofuran-3-carboxamide?
The canonical SMILES for 4-ethenyl-2-(4-fluorophenyl)-N-pentyl-2,5-dihydrofuran-3-carboxamide is C=CC1=C(C(=O)NCCCCC)C(c2ccc(F)cc2)OC1.
What is the InChIKey of 4-ethenyl-2-(4-fluorophenyl)-N-pentyl-2,5-dihydrofuran-3-carboxamide?
The InChIKey is BVIGRNOOGXQPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-3-5-6-11-20-18(21)16-13(4-2)12-22-17(16)14-7-9-15(19)10-8-14/h4,7-10,17H,2-3,5-6,11-12H2,1H3,(H,20,21).
What are the key properties of 4-ethenyl-2-(4-fluorophenyl)-N-pentyl-2,5-dihydrofuran-3-carboxamide?
4-ethenyl-2-(4-fluorophenyl)-N-pentyl-2,5-dihydrofuran-3-carboxamide has a molecular weight of 303.38 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-(4-fluorophenyl)-N-pentyl-2,5-dihydrofuran-3-carboxamide is sourced from PubChem (CID 57328559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).