N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide

C₁₈H₁₈FNO₃ — CID 17413361

About N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide

N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide (PubChem CID 17413361) has the molecular formula C₁₈H₁₈FNO₃ and a molecular weight of 315.34 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide.

Molecular Properties

• Compound Name: N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
• PubChem CID: 17413361
• Molecular Formula: C₁₈H₁₈FNO₃
• Molecular Weight: 315.34 g/mol
• Exact Mass: 315.13
• IUPAC Name: N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
• SMILES: C=CCc1cc(C(=O)Nc2ccccc2F)cc(OC)c1OC
• InChI: InChI=1S/C18H18FNO3/c1-4-7-12-10-13(11-16(22-2)17(12)23-3)18(21)20-15-9-6-5-8-14(15)19/h4-6,8-11H,1,7H2,2-3H3,(H,20,21)
• InChIKey: UGBQBABZLLWLDP-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 47.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.34
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide?

The IUPAC name of N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide (CID 17413361) is N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide.

What is the SMILES notation for N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide?

The canonical SMILES for N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide is C=CCc1cc(C(=O)Nc2ccccc2F)cc(OC)c1OC.

What is the InChIKey of N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide?

The InChIKey is UGBQBABZLLWLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-4-7-12-10-13(11-16(22-2)17(12)23-3)18(21)20-15-9-6-5-8-14(15)19/h4-6,8-11H,1,7H2,2-3H3,(H,20,21).

What are the key properties of N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide?

N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide has a molecular weight of 315.34 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide is sourced from PubChem (CID 17413361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 17413361 — identifiers, structure, computed properties (public domain)

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