2-fluoro-N'-[3-(2-methylphenoxy)propanoyl]benzohydrazide

C17H17FN2O3 — CID 2086579

IUPAC2-fluoro-N'-[3-(2-methylphenoxy)propanoyl]benzohydrazide
SMILESCc1ccccc1OCCC(=O)NNC(=O)c1ccccc1F
InChIInChI=1S/C17H17FN2O3/c1-12-6-2-5-9-15(12)23-11-10-16(21)19-20-17(22)13-7-3-4-8-14(13)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyQDKYRPVNDRMECP-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.36
Rot. Bonds5

About 2-fluoro-N'-[3-(2-methylphenoxy)propanoyl]benzohydrazide

2-fluoro-N'-[3-(2-methylphenoxy)propanoyl]benzohydrazide (PubChem CID 2086579) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 2-fluoro-N'-[3-(2-methylphenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-[3-(2-methylphenoxy)propanoyl]benzohydrazide
PubChem CID2086579
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name2-fluoro-N'-[3-(2-methylphenoxy)propanoyl]benzohydrazide
SMILESCc1ccccc1OCCC(=O)NNC(=O)c1ccccc1F
InChIInChI=1S/C17H17FN2O3/c1-12-6-2-5-9-15(12)23-11-10-16(21)19-20-17(22)13-7-3-4-8-14(13)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyQDKYRPVNDRMECP-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
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 2-fluoro-N'-[3-(2-methylphenoxy)propanoyl]benzohydrazide?
The IUPAC name of 2-fluoro-N'-[3-(2-methylphenoxy)propanoyl]benzohydrazide (CID 2086579) is 2-fluoro-N'-[3-(2-methylphenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-[3-(2-methylphenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 2-fluoro-N'-[3-(2-methylphenoxy)propanoyl]benzohydrazide is Cc1ccccc1OCCC(=O)NNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N'-[3-(2-methylphenoxy)propanoyl]benzohydrazide?
The InChIKey is QDKYRPVNDRMECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-12-6-2-5-9-15(12)23-11-10-16(21)19-20-17(22)13-7-3-4-8-14(13)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-fluoro-N'-[3-(2-methylphenoxy)propanoyl]benzohydrazide?
2-fluoro-N'-[3-(2-methylphenoxy)propanoyl]benzohydrazide has a molecular weight of 316.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-[3-(2-methylphenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 2086579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).