2-[3-[2-(hydrazinecarbonyl)phenyl]-3-oxopropanoyl]benzohydrazide

C17H16N4O4 — CID 141301620

IUPAC2-[3-[2-(hydrazinecarbonyl)phenyl]-3-oxopropanoyl]benzohydrazide
SMILESNNC(=O)c1ccccc1C(=O)CC(=O)c1ccccc1C(=O)NN
InChIInChI=1S/C17H16N4O4/c18-20-16(24)12-7-3-1-5-10(12)14(22)9-15(23)11-6-2-4-8-13(11)17(25)21-19/h1-8H,9,18-19H2,(H,20,24)(H,21,25)
InChIKeyNHMAVODAFXLMJO-UHFFFAOYSA-N
MW340.34 g/mol
LogP0.35
Rot. Bonds6

About 2-[3-[2-(hydrazinecarbonyl)phenyl]-3-oxopropanoyl]benzohydrazide

2-[3-[2-(hydrazinecarbonyl)phenyl]-3-oxopropanoyl]benzohydrazide (PubChem CID 141301620) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-[3-[2-(hydrazinecarbonyl)phenyl]-3-oxopropanoyl]benzohydrazide.

Molecular Properties

Compound Name2-[3-[2-(hydrazinecarbonyl)phenyl]-3-oxopropanoyl]benzohydrazide
PubChem CID141301620
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name2-[3-[2-(hydrazinecarbonyl)phenyl]-3-oxopropanoyl]benzohydrazide
SMILESNNC(=O)c1ccccc1C(=O)CC(=O)c1ccccc1C(=O)NN
InChIInChI=1S/C17H16N4O4/c18-20-16(24)12-7-3-1-5-10(12)14(22)9-15(23)11-6-2-4-8-13(11)17(25)21-19/h1-8H,9,18-19H2,(H,20,24)(H,21,25)
InChIKeyNHMAVODAFXLMJO-UHFFFAOYSA-N
XLogP0.35
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-[3-[2-(hydrazinecarbonyl)phenyl]-3-oxopropanoyl]benzohydrazide?
The IUPAC name of 2-[3-[2-(hydrazinecarbonyl)phenyl]-3-oxopropanoyl]benzohydrazide (CID 141301620) is 2-[3-[2-(hydrazinecarbonyl)phenyl]-3-oxopropanoyl]benzohydrazide.
What is the SMILES notation for 2-[3-[2-(hydrazinecarbonyl)phenyl]-3-oxopropanoyl]benzohydrazide?
The canonical SMILES for 2-[3-[2-(hydrazinecarbonyl)phenyl]-3-oxopropanoyl]benzohydrazide is NNC(=O)c1ccccc1C(=O)CC(=O)c1ccccc1C(=O)NN.
What is the InChIKey of 2-[3-[2-(hydrazinecarbonyl)phenyl]-3-oxopropanoyl]benzohydrazide?
The InChIKey is NHMAVODAFXLMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c18-20-16(24)12-7-3-1-5-10(12)14(22)9-15(23)11-6-2-4-8-13(11)17(25)21-19/h1-8H,9,18-19H2,(H,20,24)(H,21,25).
What are the key properties of 2-[3-[2-(hydrazinecarbonyl)phenyl]-3-oxopropanoyl]benzohydrazide?
2-[3-[2-(hydrazinecarbonyl)phenyl]-3-oxopropanoyl]benzohydrazide has a molecular weight of 340.34 g/mol, XLogP of 0.35, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(hydrazinecarbonyl)phenyl]-3-oxopropanoyl]benzohydrazide is sourced from PubChem (CID 141301620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).