N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide

C₁₈H₁₉FN₂O₃ — CID 51161387

About N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide

N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide (PubChem CID 51161387) has the molecular formula C₁₈H₁₉FN₂O₃ and a molecular weight of 330.36 g/mol. Its IUPAC name is N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide.

Molecular Properties

• Compound Name: N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide
• PubChem CID: 51161387
• Molecular Formula: C₁₈H₁₉FN₂O₃
• Molecular Weight: 330.36 g/mol
• Exact Mass: 330.14
• IUPAC Name: N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide
• SMILES: Cc1cccc(C(=O)NNC(=O)C(C)Oc2ccc(F)cc2)c1C
• InChI: InChI=1S/C18H19FN2O3/c1-11-5-4-6-16(12(11)2)18(23)21-20-17(22)13(3)24-15-9-7-14(19)8-10-15/h4-10,13H,1-3H3,(H,20,22)(H,21,23)
• InChIKey: FCYPQMKSEBAYIR-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 67.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.36
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide?

The IUPAC name of N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide (CID 51161387) is N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide.

What is the SMILES notation for N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide?

The canonical SMILES for N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide is Cc1cccc(C(=O)NNC(=O)C(C)Oc2ccc(F)cc2)c1C.

What is the InChIKey of N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide?

The InChIKey is FCYPQMKSEBAYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-11-5-4-6-16(12(11)2)18(23)21-20-17(22)13(3)24-15-9-7-14(19)8-10-15/h4-10,13H,1-3H3,(H,20,22)(H,21,23).

What are the key properties of N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide?

N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide has a molecular weight of 330.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide is sourced from PubChem (CID 51161387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 51161387 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.