2-[4-[(E)-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

C17H15ClN2O4 — CID 6905683

IUPAC2-[4-[(E)-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClN2O4/c18-14-5-1-12(2-6-14)9-16(21)20-19-10-13-3-7-15(8-4-13)24-11-17(22)23/h1-8,10H,9,11H2,(H,20,21)(H,22,23)/b19-10+
InChIKeyZVBJKMCUSBGDPX-VXLYETTFSA-N
MW346.77 g/mol
LogP2.50
Rot. Bonds7

About 2-[4-[(E)-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

2-[4-[(E)-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 6905683) has the molecular formula C17H15ClN2O4 and a molecular weight of 346.77 g/mol. Its IUPAC name is 2-[4-[(E)-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(E)-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID6905683
Molecular FormulaC17H15ClN2O4
Molecular Weight346.77 g/mol
Exact Mass346.07
IUPAC Name2-[4-[(E)-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClN2O4/c18-14-5-1-12(2-6-14)9-16(21)20-19-10-13-3-7-15(8-4-13)24-11-17(22)23/h1-8,10H,9,11H2,(H,20,21)(H,22,23)/b19-10+
InChIKeyZVBJKMCUSBGDPX-VXLYETTFSA-N
XLogP2.50
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(E)-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid (CID 6905683) is 2-[4-[(E)-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(E)-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(E)-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is O=C(O)COc1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-[(E)-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is ZVBJKMCUSBGDPX-VXLYETTFSA-N. The full InChI is InChI=1S/C17H15ClN2O4/c18-14-5-1-12(2-6-14)9-16(21)20-19-10-13-3-7-15(8-4-13)24-11-17(22)23/h1-8,10H,9,11H2,(H,20,21)(H,22,23)/b19-10+.
What are the key properties of 2-[4-[(E)-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
2-[4-[(E)-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 346.77 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 6905683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).