ethyl 2-diphenylphosphoryl-2-[(4-nitrophenyl)hydrazinylidene]acetate

C22H20N3O5P — CID 3325891

IUPACethyl 2-diphenylphosphoryl-2-[(4-nitrophenyl)hydrazinylidene]acetate
SMILESCCOC(=O)C(=NNc1ccc([N+](=O)[O-])cc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N3O5P/c1-2-30-22(26)21(24-23-17-13-15-18(16-14-17)25(27)28)31(29,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,23H,2H2,1H3
InChIKeyWGGIMKUHFLISDI-UHFFFAOYSA-N
MW437.39 g/mol
LogP3.90
Rot. Bonds8

About ethyl 2-diphenylphosphoryl-2-[(4-nitrophenyl)hydrazinylidene]acetate

ethyl 2-diphenylphosphoryl-2-[(4-nitrophenyl)hydrazinylidene]acetate (PubChem CID 3325891) has the molecular formula C22H20N3O5P and a molecular weight of 437.39 g/mol. Its IUPAC name is ethyl 2-diphenylphosphoryl-2-[(4-nitrophenyl)hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl 2-diphenylphosphoryl-2-[(4-nitrophenyl)hydrazinylidene]acetate
PubChem CID3325891
Molecular FormulaC22H20N3O5P
Molecular Weight437.39 g/mol
Exact Mass437.11
IUPAC Nameethyl 2-diphenylphosphoryl-2-[(4-nitrophenyl)hydrazinylidene]acetate
SMILESCCOC(=O)C(=NNc1ccc([N+](=O)[O-])cc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N3O5P/c1-2-30-22(26)21(24-23-17-13-15-18(16-14-17)25(27)28)31(29,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,23H,2H2,1H3
InChIKeyWGGIMKUHFLISDI-UHFFFAOYSA-N
XLogP3.90
TPSA110.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2Z)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylacetate
CID 139126030
ethyl (2E)-2-[(4-nitrophenyl)hydrazinylidene]pentanoate
CID 18653713
ethyl (2Z)-2-(2-methylbenzimidazol-1-yl)-2-[(4-nitrophenyl)hydrazinylidene]acetate
CID 139081448
ethyl (2E)-2-morpholin-4-yl-2-[(4-nitrophenyl)hydrazinylidene]acetate
CID 11141807
3-[(4-nitrophenyl)hydrazinylidene]-1,3-diphenylpropan-1-one
CID 4509710
ethyl 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-[(4-nitrophenyl)hydrazinylidene]acetate
CID 3581066
ethyl (2E)-2-[(3-nitrophenyl)hydrazinylidene]propanoate
CID 5357576
4-nitro-N-[(Z)-1-phenylethylideneamino]aniline
CID 6104616
ethyl 3-diphenylphosphoryl-2-hydroxy-2-(4-nitrophenyl)propanoate
CID 132569337
4-nitro-N-(1-phenylpropan-2-ylideneamino)aniline
CID 4640620
4-nitro-N-[(E)-1-phenylpropan-2-ylideneamino]aniline
CID 6172968
ethyl 3-(4-nitrophenyl)-2-oxopropanoate
CID 15716402

Frequently Asked Questions

What is the IUPAC name of ethyl 2-diphenylphosphoryl-2-[(4-nitrophenyl)hydrazinylidene]acetate?
The IUPAC name of ethyl 2-diphenylphosphoryl-2-[(4-nitrophenyl)hydrazinylidene]acetate (CID 3325891) is ethyl 2-diphenylphosphoryl-2-[(4-nitrophenyl)hydrazinylidene]acetate.
What is the SMILES notation for ethyl 2-diphenylphosphoryl-2-[(4-nitrophenyl)hydrazinylidene]acetate?
The canonical SMILES for ethyl 2-diphenylphosphoryl-2-[(4-nitrophenyl)hydrazinylidene]acetate is CCOC(=O)C(=NNc1ccc([N+](=O)[O-])cc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-diphenylphosphoryl-2-[(4-nitrophenyl)hydrazinylidene]acetate?
The InChIKey is WGGIMKUHFLISDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N3O5P/c1-2-30-22(26)21(24-23-17-13-15-18(16-14-17)25(27)28)31(29,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,23H,2H2,1H3.
What are the key properties of ethyl 2-diphenylphosphoryl-2-[(4-nitrophenyl)hydrazinylidene]acetate?
ethyl 2-diphenylphosphoryl-2-[(4-nitrophenyl)hydrazinylidene]acetate has a molecular weight of 437.39 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-diphenylphosphoryl-2-[(4-nitrophenyl)hydrazinylidene]acetate is sourced from PubChem (CID 3325891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).