4-fluoro-N'-[3-(4-methoxyphenyl)propanoyl]benzohydrazide

C17H17FN2O3 — CID 2529296

IUPAC4-fluoro-N'-[3-(4-methoxyphenyl)propanoyl]benzohydrazide
SMILESCOc1ccc(CCC(=O)NNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O3/c1-23-15-9-2-12(3-10-15)4-11-16(21)19-20-17(22)13-5-7-14(18)8-6-13/h2-3,5-10H,4,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyONBMPKKGXUPGQP-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.23
Rot. Bonds5

About 4-fluoro-N'-[3-(4-methoxyphenyl)propanoyl]benzohydrazide

4-fluoro-N'-[3-(4-methoxyphenyl)propanoyl]benzohydrazide (PubChem CID 2529296) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 4-fluoro-N'-[3-(4-methoxyphenyl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-[3-(4-methoxyphenyl)propanoyl]benzohydrazide
PubChem CID2529296
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name4-fluoro-N'-[3-(4-methoxyphenyl)propanoyl]benzohydrazide
SMILESCOc1ccc(CCC(=O)NNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O3/c1-23-15-9-2-12(3-10-15)4-11-16(21)19-20-17(22)13-5-7-14(18)8-6-13/h2-3,5-10H,4,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyONBMPKKGXUPGQP-UHFFFAOYSA-N
XLogP2.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-[3-(4-methoxyphenyl)propanoyl]benzohydrazide?
The IUPAC name of 4-fluoro-N'-[3-(4-methoxyphenyl)propanoyl]benzohydrazide (CID 2529296) is 4-fluoro-N'-[3-(4-methoxyphenyl)propanoyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-N'-[3-(4-methoxyphenyl)propanoyl]benzohydrazide?
The canonical SMILES for 4-fluoro-N'-[3-(4-methoxyphenyl)propanoyl]benzohydrazide is COc1ccc(CCC(=O)NNC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N'-[3-(4-methoxyphenyl)propanoyl]benzohydrazide?
The InChIKey is ONBMPKKGXUPGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-23-15-9-2-12(3-10-15)4-11-16(21)19-20-17(22)13-5-7-14(18)8-6-13/h2-3,5-10H,4,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 4-fluoro-N'-[3-(4-methoxyphenyl)propanoyl]benzohydrazide?
4-fluoro-N'-[3-(4-methoxyphenyl)propanoyl]benzohydrazide has a molecular weight of 316.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-[3-(4-methoxyphenyl)propanoyl]benzohydrazide is sourced from PubChem (CID 2529296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).