2-(1-dimethylphosphoryloxy-2-phenylethyl)benzamide

C17H20NO3P — CID 146295275

IUPAC2-(1-dimethylphosphoryloxy-2-phenylethyl)benzamide
SMILESCP(C)(=O)OC(Cc1ccccc1)c1ccccc1C(N)=O
InChIInChI=1S/C17H20NO3P/c1-22(2,20)21-16(12-13-8-4-3-5-9-13)14-10-6-7-11-15(14)17(18)19/h3-11,16H,12H2,1-2H3,(H2,18,19)
InChIKeyYMRAFDLIVVKYMF-UHFFFAOYSA-N
MW317.33 g/mol
LogP3.62
Rot. Bonds6

About 2-(1-dimethylphosphoryloxy-2-phenylethyl)benzamide

2-(1-dimethylphosphoryloxy-2-phenylethyl)benzamide (PubChem CID 146295275) has the molecular formula C17H20NO3P and a molecular weight of 317.33 g/mol. Its IUPAC name is 2-(1-dimethylphosphoryloxy-2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-(1-dimethylphosphoryloxy-2-phenylethyl)benzamide
PubChem CID146295275
Molecular FormulaC17H20NO3P
Molecular Weight317.33 g/mol
Exact Mass317.12
IUPAC Name2-(1-dimethylphosphoryloxy-2-phenylethyl)benzamide
SMILESCP(C)(=O)OC(Cc1ccccc1)c1ccccc1C(N)=O
InChIInChI=1S/C17H20NO3P/c1-22(2,20)21-16(12-13-8-4-3-5-9-13)14-10-6-7-11-15(14)17(18)19/h3-11,16H,12H2,1-2H3,(H2,18,19)
InChIKeyYMRAFDLIVVKYMF-UHFFFAOYSA-N
XLogP3.62
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1-dimethylphosphoryloxy-2-phenylethyl)benzamide?
The IUPAC name of 2-(1-dimethylphosphoryloxy-2-phenylethyl)benzamide (CID 146295275) is 2-(1-dimethylphosphoryloxy-2-phenylethyl)benzamide.
What is the SMILES notation for 2-(1-dimethylphosphoryloxy-2-phenylethyl)benzamide?
The canonical SMILES for 2-(1-dimethylphosphoryloxy-2-phenylethyl)benzamide is CP(C)(=O)OC(Cc1ccccc1)c1ccccc1C(N)=O.
What is the InChIKey of 2-(1-dimethylphosphoryloxy-2-phenylethyl)benzamide?
The InChIKey is YMRAFDLIVVKYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20NO3P/c1-22(2,20)21-16(12-13-8-4-3-5-9-13)14-10-6-7-11-15(14)17(18)19/h3-11,16H,12H2,1-2H3,(H2,18,19).
What are the key properties of 2-(1-dimethylphosphoryloxy-2-phenylethyl)benzamide?
2-(1-dimethylphosphoryloxy-2-phenylethyl)benzamide has a molecular weight of 317.33 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-dimethylphosphoryloxy-2-phenylethyl)benzamide is sourced from PubChem (CID 146295275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).