N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide

C24H19N5O4 — CID 135401555

IUPACN-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
SMILESO=C(NC(C(=O)N/N=C/c1ccccc1O)c1n[nH]c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C24H19N5O4/c30-19-13-7-4-10-16(19)14-25-28-24(33)21(26-22(31)15-8-2-1-3-9-15)20-17-11-5-6-12-18(17)23(32)29-27-20/h1-14,21,30H,(H,26,31)(H,28,33)(H,29,32)/b25-14+
InChIKeyCGADYBGBMYSOSL-AFUMVMLFSA-N
MW441.45 g/mol
LogP2.25
Rot. Bonds6

About N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide

N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide (PubChem CID 135401555) has the molecular formula C24H19N5O4 and a molecular weight of 441.45 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
PubChem CID135401555
Molecular FormulaC24H19N5O4
Molecular Weight441.45 g/mol
Exact Mass441.14
IUPAC NameN-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
SMILESO=C(NC(C(=O)N/N=C/c1ccccc1O)c1n[nH]c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C24H19N5O4/c30-19-13-7-4-10-16(19)14-25-28-24(33)21(26-22(31)15-8-2-1-3-9-15)20-17-11-5-6-12-18(17)23(32)29-27-20/h1-14,21,30H,(H,26,31)(H,28,33)(H,29,32)/b25-14+
InChIKeyCGADYBGBMYSOSL-AFUMVMLFSA-N
XLogP2.25
TPSA136.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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 N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide?
The IUPAC name of N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide (CID 135401555) is N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide?
The canonical SMILES for N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide is O=C(NC(C(=O)N/N=C/c1ccccc1O)c1n[nH]c(=O)c2ccccc12)c1ccccc1.
What is the InChIKey of N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide?
The InChIKey is CGADYBGBMYSOSL-AFUMVMLFSA-N. The full InChI is InChI=1S/C24H19N5O4/c30-19-13-7-4-10-16(19)14-25-28-24(33)21(26-22(31)15-8-2-1-3-9-15)20-17-11-5-6-12-18(17)23(32)29-27-20/h1-14,21,30H,(H,26,31)(H,28,33)(H,29,32)/b25-14+.
What are the key properties of N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide?
N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide has a molecular weight of 441.45 g/mol, XLogP of 2.25, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 135401555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).