3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-methoxypropyl)prop-2-enamide

C17H18FNO3 — CID 3476503

IUPAC3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-methoxypropyl)prop-2-enamide
SMILESCOCCCNC(=O)C=Cc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C17H18FNO3/c1-21-12-2-11-19-17(20)10-8-15-7-9-16(22-15)13-3-5-14(18)6-4-13/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyULCMWZCKBPHHBK-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.25
Rot. Bonds7

About 3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-methoxypropyl)prop-2-enamide

3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-methoxypropyl)prop-2-enamide (PubChem CID 3476503) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-methoxypropyl)prop-2-enamide.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-methoxypropyl)prop-2-enamide
PubChem CID3476503
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Name3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-methoxypropyl)prop-2-enamide
SMILESCOCCCNC(=O)C=Cc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C17H18FNO3/c1-21-12-2-11-19-17(20)10-8-15-7-9-16(22-15)13-3-5-14(18)6-4-13/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyULCMWZCKBPHHBK-UHFFFAOYSA-N
XLogP3.25
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-methoxypropyl)prop-2-enamide?
The IUPAC name of 3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-methoxypropyl)prop-2-enamide (CID 3476503) is 3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-methoxypropyl)prop-2-enamide.
What is the SMILES notation for 3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-methoxypropyl)prop-2-enamide?
The canonical SMILES for 3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-methoxypropyl)prop-2-enamide is COCCCNC(=O)C=Cc1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-methoxypropyl)prop-2-enamide?
The InChIKey is ULCMWZCKBPHHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-21-12-2-11-19-17(20)10-8-15-7-9-16(22-15)13-3-5-14(18)6-4-13/h3-10H,2,11-12H2,1H3,(H,19,20).
What are the key properties of 3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-methoxypropyl)prop-2-enamide?
3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-methoxypropyl)prop-2-enamide has a molecular weight of 303.33 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-methoxypropyl)prop-2-enamide is sourced from PubChem (CID 3476503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).