N'-[diethoxyphosphoryl(phenyl)methyl]benzohydrazide

C18H23N2O4P — CID 14923152

IUPACN'-[diethoxyphosphoryl(phenyl)methyl]benzohydrazide
SMILESCCOP(=O)(OCC)C(NNC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23N2O4P/c1-3-23-25(22,24-4-2)18(16-13-9-6-10-14-16)20-19-17(21)15-11-7-5-8-12-15/h5-14,18,20H,3-4H2,1-2H3,(H,19,21)
InChIKeyDWJSTETZHUWEDT-UHFFFAOYSA-N
MW362.37 g/mol
LogP3.89
Rot. Bonds9

About N'-[diethoxyphosphoryl(phenyl)methyl]benzohydrazide

N'-[diethoxyphosphoryl(phenyl)methyl]benzohydrazide (PubChem CID 14923152) has the molecular formula C18H23N2O4P and a molecular weight of 362.37 g/mol. Its IUPAC name is N'-[diethoxyphosphoryl(phenyl)methyl]benzohydrazide.

Molecular Properties

Compound NameN'-[diethoxyphosphoryl(phenyl)methyl]benzohydrazide
PubChem CID14923152
Molecular FormulaC18H23N2O4P
Molecular Weight362.37 g/mol
Exact Mass362.14
IUPAC NameN'-[diethoxyphosphoryl(phenyl)methyl]benzohydrazide
SMILESCCOP(=O)(OCC)C(NNC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23N2O4P/c1-3-23-25(22,24-4-2)18(16-13-9-6-10-14-16)20-19-17(21)15-11-7-5-8-12-15/h5-14,18,20H,3-4H2,1-2H3,(H,19,21)
InChIKeyDWJSTETZHUWEDT-UHFFFAOYSA-N
XLogP3.89
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[diethoxyphosphoryl(phenyl)methyl]benzohydrazide?
The IUPAC name of N'-[diethoxyphosphoryl(phenyl)methyl]benzohydrazide (CID 14923152) is N'-[diethoxyphosphoryl(phenyl)methyl]benzohydrazide.
What is the SMILES notation for N'-[diethoxyphosphoryl(phenyl)methyl]benzohydrazide?
The canonical SMILES for N'-[diethoxyphosphoryl(phenyl)methyl]benzohydrazide is CCOP(=O)(OCC)C(NNC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[diethoxyphosphoryl(phenyl)methyl]benzohydrazide?
The InChIKey is DWJSTETZHUWEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N2O4P/c1-3-23-25(22,24-4-2)18(16-13-9-6-10-14-16)20-19-17(21)15-11-7-5-8-12-15/h5-14,18,20H,3-4H2,1-2H3,(H,19,21).
What are the key properties of N'-[diethoxyphosphoryl(phenyl)methyl]benzohydrazide?
N'-[diethoxyphosphoryl(phenyl)methyl]benzohydrazide has a molecular weight of 362.37 g/mol, XLogP of 3.89, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[diethoxyphosphoryl(phenyl)methyl]benzohydrazide is sourced from PubChem (CID 14923152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).