2-diphenylphosphorylacetamide

C14H14NO2P — CID 796633

IUPAC2-diphenylphosphorylacetamide
SMILESNC(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14NO2P/c15-14(16)11-18(17,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H2,15,16)
InChIKeyYXMKQDQNFRFINO-UHFFFAOYSA-N
MW259.25 g/mol
LogP1.49
Rot. Bonds4

About 2-diphenylphosphorylacetamide

2-diphenylphosphorylacetamide (PubChem CID 796633) has the molecular formula C14H14NO2P and a molecular weight of 259.25 g/mol. Its IUPAC name is 2-diphenylphosphorylacetamide.

Molecular Properties

Compound Name2-diphenylphosphorylacetamide
PubChem CID796633
Molecular FormulaC14H14NO2P
Molecular Weight259.25 g/mol
Exact Mass259.08
IUPAC Name2-diphenylphosphorylacetamide
SMILESNC(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14NO2P/c15-14(16)11-18(17,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H2,15,16)
InChIKeyYXMKQDQNFRFINO-UHFFFAOYSA-N
XLogP1.49
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphorylacetamide?
The IUPAC name of 2-diphenylphosphorylacetamide (CID 796633) is 2-diphenylphosphorylacetamide.
What is the SMILES notation for 2-diphenylphosphorylacetamide?
The canonical SMILES for 2-diphenylphosphorylacetamide is NC(=O)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphorylacetamide?
The InChIKey is YXMKQDQNFRFINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14NO2P/c15-14(16)11-18(17,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H2,15,16).
What are the key properties of 2-diphenylphosphorylacetamide?
2-diphenylphosphorylacetamide has a molecular weight of 259.25 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphorylacetamide is sourced from PubChem (CID 796633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).