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

C18H19FN2O3 — CID 40730249

IUPACN'-[2-(4-fluorophenyl)acetyl]-3-(2-methoxyphenyl)propanehydrazide
SMILESCOc1ccccc1CCC(=O)NNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3/c1-24-16-5-3-2-4-14(16)8-11-17(22)20-21-18(23)12-13-6-9-15(19)10-7-13/h2-7,9-10H,8,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyHJLUQYWVZOYEMW-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.16
Rot. Bonds6

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

N'-[2-(4-fluorophenyl)acetyl]-3-(2-methoxyphenyl)propanehydrazide (PubChem CID 40730249) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N'-[2-(4-fluorophenyl)acetyl]-3-(2-methoxyphenyl)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenyl)acetyl]-3-(2-methoxyphenyl)propanehydrazide
PubChem CID40730249
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN'-[2-(4-fluorophenyl)acetyl]-3-(2-methoxyphenyl)propanehydrazide
SMILESCOc1ccccc1CCC(=O)NNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3/c1-24-16-5-3-2-4-14(16)8-11-17(22)20-21-18(23)12-13-6-9-15(19)10-7-13/h2-7,9-10H,8,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyHJLUQYWVZOYEMW-UHFFFAOYSA-N
XLogP2.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.16
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 N'-[2-(4-fluorophenyl)acetyl]-3-(2-methoxyphenyl)propanehydrazide?
The IUPAC name of N'-[2-(4-fluorophenyl)acetyl]-3-(2-methoxyphenyl)propanehydrazide (CID 40730249) is N'-[2-(4-fluorophenyl)acetyl]-3-(2-methoxyphenyl)propanehydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenyl)acetyl]-3-(2-methoxyphenyl)propanehydrazide?
The canonical SMILES for N'-[2-(4-fluorophenyl)acetyl]-3-(2-methoxyphenyl)propanehydrazide is COc1ccccc1CCC(=O)NNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N'-[2-(4-fluorophenyl)acetyl]-3-(2-methoxyphenyl)propanehydrazide?
The InChIKey is HJLUQYWVZOYEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-24-16-5-3-2-4-14(16)8-11-17(22)20-21-18(23)12-13-6-9-15(19)10-7-13/h2-7,9-10H,8,11-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(4-fluorophenyl)acetyl]-3-(2-methoxyphenyl)propanehydrazide?
N'-[2-(4-fluorophenyl)acetyl]-3-(2-methoxyphenyl)propanehydrazide has a molecular weight of 330.36 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenyl)acetyl]-3-(2-methoxyphenyl)propanehydrazide is sourced from PubChem (CID 40730249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).