N-diphenylphosphorylacetamide

C14H14NO2P — CID 155068871

IUPACN-diphenylphosphorylacetamide
SMILESCC(=O)NP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14NO2P/c1-12(16)15-18(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3,(H,15,16,17)
InChIKeyGTHWNQFSLNPFJU-UHFFFAOYSA-N
MW259.25 g/mol
LogP2.05
Rot. Bonds3

About N-diphenylphosphorylacetamide

N-diphenylphosphorylacetamide (PubChem CID 155068871) has the molecular formula C14H14NO2P and a molecular weight of 259.25 g/mol. Its IUPAC name is N-diphenylphosphorylacetamide.

Molecular Properties

Compound NameN-diphenylphosphorylacetamide
PubChem CID155068871
Molecular FormulaC14H14NO2P
Molecular Weight259.25 g/mol
Exact Mass259.08
IUPAC NameN-diphenylphosphorylacetamide
SMILESCC(=O)NP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14NO2P/c1-12(16)15-18(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3,(H,15,16,17)
InChIKeyGTHWNQFSLNPFJU-UHFFFAOYSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 52.05
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 N-diphenylphosphorylacetamide?
The IUPAC name of N-diphenylphosphorylacetamide (CID 155068871) is N-diphenylphosphorylacetamide.
What is the SMILES notation for N-diphenylphosphorylacetamide?
The canonical SMILES for N-diphenylphosphorylacetamide is CC(=O)NP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-diphenylphosphorylacetamide?
The InChIKey is GTHWNQFSLNPFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14NO2P/c1-12(16)15-18(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3,(H,15,16,17).
What are the key properties of N-diphenylphosphorylacetamide?
N-diphenylphosphorylacetamide has a molecular weight of 259.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphorylacetamide is sourced from PubChem (CID 155068871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).