diphenylphosphorylmethanimidamide

C13H13N2OP — CID 118169185

IUPACdiphenylphosphorylmethanimidamide
SMILES[H]/N=C(\N)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13N2OP/c14-13(15)17(16,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H3,14,15)
InChIKeyAJETXPYZWINCLY-UHFFFAOYSA-N
MW244.23 g/mol
LogP1.89
Rot. Bonds3

About diphenylphosphorylmethanimidamide

diphenylphosphorylmethanimidamide (PubChem CID 118169185) has the molecular formula C13H13N2OP and a molecular weight of 244.23 g/mol. Its IUPAC name is diphenylphosphorylmethanimidamide.

Molecular Properties

Compound Namediphenylphosphorylmethanimidamide
PubChem CID118169185
Molecular FormulaC13H13N2OP
Molecular Weight244.23 g/mol
Exact Mass244.08
IUPAC Namediphenylphosphorylmethanimidamide
SMILES[H]/N=C(\N)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13N2OP/c14-13(15)17(16,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H3,14,15)
InChIKeyAJETXPYZWINCLY-UHFFFAOYSA-N
XLogP1.89
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-(C-diphenylphosphorylcarbonimidoyl)benzoic acid
CID 175302246
diphenylphosphorylmethyl carbamimidothioate;hydrochloride
CID 16682079
2-diazo-2-diphenylphosphorylacetamide
CID 137302677
trisodium;benzenecarboximidamide;phosphate
CID 23196456
bis(diphenylphosphoryl)methylidene-triphenyl-λ5-phosphane
CID 4028958
phenylphosphonamidic acid
CID 18388605
2-imino-2-phenylacetamide
CID 18431878
1,6-bis(diphenylphosphoryl)hexane-1,6-dione
CID 58792595
CID 66766975
CID 66766975
phenylphosphonic acid;phosphane
CID 157219344
phenylphosphonic acid;terbium
CID 175289814
diphenylphosphinic acid chloride
CID 53401992

Frequently Asked Questions

What is the IUPAC name of diphenylphosphorylmethanimidamide?
The IUPAC name of diphenylphosphorylmethanimidamide (CID 118169185) is diphenylphosphorylmethanimidamide.
What is the SMILES notation for diphenylphosphorylmethanimidamide?
The canonical SMILES for diphenylphosphorylmethanimidamide is [H]/N=C(\N)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylphosphorylmethanimidamide?
The InChIKey is AJETXPYZWINCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N2OP/c14-13(15)17(16,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H3,14,15).
What are the key properties of diphenylphosphorylmethanimidamide?
diphenylphosphorylmethanimidamide has a molecular weight of 244.23 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphorylmethanimidamide is sourced from PubChem (CID 118169185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).