3-(2,4-dimethylphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide

C19H21FN2O2 — CID 34571522

IUPAC3-(2,4-dimethylphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide
SMILESCc1ccc(CCC(=O)NNC(=O)Cc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C19H21FN2O2/c1-13-3-6-16(14(2)11-13)7-10-18(23)21-22-19(24)12-15-4-8-17(20)9-5-15/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyYWGHCLOPJJSXEY-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.77
Rot. Bonds5

About 3-(2,4-dimethylphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide

3-(2,4-dimethylphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide (PubChem CID 34571522) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide
PubChem CID34571522
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name3-(2,4-dimethylphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide
SMILESCc1ccc(CCC(=O)NNC(=O)Cc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C19H21FN2O2/c1-13-3-6-16(14(2)11-13)7-10-18(23)21-22-19(24)12-15-4-8-17(20)9-5-15/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyYWGHCLOPJJSXEY-UHFFFAOYSA-N
XLogP2.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-(2,4-dimethylphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide (CID 34571522) is 3-(2,4-dimethylphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide is Cc1ccc(CCC(=O)NNC(=O)Cc2ccc(F)cc2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide?
The InChIKey is YWGHCLOPJJSXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-13-3-6-16(14(2)11-13)7-10-18(23)21-22-19(24)12-15-4-8-17(20)9-5-15/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-(2,4-dimethylphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide?
3-(2,4-dimethylphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide has a molecular weight of 328.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide is sourced from PubChem (CID 34571522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).