2-(4-chlorophenyl)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide

C17H17ClN2O4 — CID 4936798

IUPAC2-(4-chlorophenyl)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
SMILESCOc1ccccc1OCC(=O)NNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O4/c1-23-14-4-2-3-5-15(14)24-11-17(22)20-19-16(21)10-12-6-8-13(18)9-7-12/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyKOGYCZKNMCKTSK-UHFFFAOYSA-N
MW348.79 g/mol
LogP2.12
Rot. Bonds6

About 2-(4-chlorophenyl)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide

2-(4-chlorophenyl)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide (PubChem CID 4936798) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
PubChem CID4936798
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name2-(4-chlorophenyl)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
SMILESCOc1ccccc1OCC(=O)NNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O4/c1-23-14-4-2-3-5-15(14)24-11-17(22)20-19-16(21)10-12-6-8-13(18)9-7-12/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyKOGYCZKNMCKTSK-UHFFFAOYSA-N
XLogP2.12
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-chlorophenyl)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(4-chlorophenyl)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide (CID 4936798) is 2-(4-chlorophenyl)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(4-chlorophenyl)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(4-chlorophenyl)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide is COc1ccccc1OCC(=O)NNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide?
The InChIKey is KOGYCZKNMCKTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-23-14-4-2-3-5-15(14)24-11-17(22)20-19-16(21)10-12-6-8-13(18)9-7-12/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-(4-chlorophenyl)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide?
2-(4-chlorophenyl)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide has a molecular weight of 348.79 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 4936798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).