2-diazo-2-diphenylphosphorylacetamide

C14H12N3O2P — CID 137302677

IUPAC2-diazo-2-diphenylphosphorylacetamide
SMILES[N-]=[N+]=C(C(N)=O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12N3O2P/c15-13(18)14(17-16)20(19,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,15,18)
InChIKeyIQGUHZCPYWBHFI-UHFFFAOYSA-N
MW285.24 g/mol
LogP1.11
Rot. Bonds4

About 2-diazo-2-diphenylphosphorylacetamide

2-diazo-2-diphenylphosphorylacetamide (PubChem CID 137302677) has the molecular formula C14H12N3O2P and a molecular weight of 285.24 g/mol. Its IUPAC name is 2-diazo-2-diphenylphosphorylacetamide.

Molecular Properties

Compound Name2-diazo-2-diphenylphosphorylacetamide
PubChem CID137302677
Molecular FormulaC14H12N3O2P
Molecular Weight285.24 g/mol
Exact Mass285.07
IUPAC Name2-diazo-2-diphenylphosphorylacetamide
SMILES[N-]=[N+]=C(C(N)=O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12N3O2P/c15-13(18)14(17-16)20(19,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,15,18)
InChIKeyIQGUHZCPYWBHFI-UHFFFAOYSA-N
XLogP1.11
TPSA96.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

diphenylphosphorylmethanimidamide
CID 118169185
diphenylphosphoryl-(2-ethenylphenyl)methanone
CID 22592682
bis(diphenylphosphoryl)methylidene-triphenyl-λ5-phosphane
CID 4028958
1,6-bis(diphenylphosphoryl)hexane-1,6-dione
CID 58792595
phenylphosphonamidic acid
CID 18388605
1-diphenylphosphoryl-2,2,2-triphenylethanone
CID 141056133
methyl(phenyl)phosphinic acid;zinc
CID 66618039
CID 66766975
CID 66766975
diphenylphosphinic acid chloride
CID 53401992
phenylphosphonic acid;terbium
CID 175289814
phenylphosphonic acid;phosphane
CID 157219344
oxamide;phenol
CID 21277500

Frequently Asked Questions

What is the IUPAC name of 2-diazo-2-diphenylphosphorylacetamide?
The IUPAC name of 2-diazo-2-diphenylphosphorylacetamide (CID 137302677) is 2-diazo-2-diphenylphosphorylacetamide.
What is the SMILES notation for 2-diazo-2-diphenylphosphorylacetamide?
The canonical SMILES for 2-diazo-2-diphenylphosphorylacetamide is [N-]=[N+]=C(C(N)=O)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diazo-2-diphenylphosphorylacetamide?
The InChIKey is IQGUHZCPYWBHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N3O2P/c15-13(18)14(17-16)20(19,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,15,18).
What are the key properties of 2-diazo-2-diphenylphosphorylacetamide?
2-diazo-2-diphenylphosphorylacetamide has a molecular weight of 285.24 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-2-diphenylphosphorylacetamide is sourced from PubChem (CID 137302677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).