N'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]benzohydrazide

C17H14N4O4 — CID 2082420

IUPACN'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]benzohydrazide
SMILESO=C(Cn1[nH]c(=O)c2ccccc2c1=O)NNC(=O)c1ccccc1
InChIInChI=1S/C17H14N4O4/c22-14(18-19-15(23)11-6-2-1-3-7-11)10-21-17(25)13-9-5-4-8-12(13)16(24)20-21/h1-9H,10H2,(H,18,22)(H,19,23)(H,20,24)
InChIKeyGHJLXPBCHNGFBU-UHFFFAOYSA-N
MW338.32 g/mol
LogP0.15
Rot. Bonds3

About N'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]benzohydrazide

N'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]benzohydrazide (PubChem CID 2082420) has the molecular formula C17H14N4O4 and a molecular weight of 338.32 g/mol. Its IUPAC name is N'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]benzohydrazide
PubChem CID2082420
Molecular FormulaC17H14N4O4
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC NameN'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]benzohydrazide
SMILESO=C(Cn1[nH]c(=O)c2ccccc2c1=O)NNC(=O)c1ccccc1
InChIInChI=1S/C17H14N4O4/c22-14(18-19-15(23)11-6-2-1-3-7-11)10-21-17(25)13-9-5-4-8-12(13)16(24)20-21/h1-9H,10H2,(H,18,22)(H,19,23)(H,20,24)
InChIKeyGHJLXPBCHNGFBU-UHFFFAOYSA-N
XLogP0.15
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]benzohydrazide?
The IUPAC name of N'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]benzohydrazide (CID 2082420) is N'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]benzohydrazide?
The canonical SMILES for N'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]benzohydrazide is O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]benzohydrazide?
The InChIKey is GHJLXPBCHNGFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O4/c22-14(18-19-15(23)11-6-2-1-3-7-11)10-21-17(25)13-9-5-4-8-12(13)16(24)20-21/h1-9H,10H2,(H,18,22)(H,19,23)(H,20,24).
What are the key properties of N'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]benzohydrazide?
N'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]benzohydrazide has a molecular weight of 338.32 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]benzohydrazide is sourced from PubChem (CID 2082420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).