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4-diethoxyphosphinylmethyl-N-benzylbenzamide

HCID 13745802
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCOP(=O)(Cc1ccc(C(=O)NCc2ccccc2)cc1)OCC
InChIKey
PYZCRLMBYZIMBR-UHFFFAOYSA-N
Molecular formula
C19H24NO4P
Average molar mass
361.4 g/mol

Names & identifiers

Preferred name
4-diethoxyphosphinylmethyl-N-benzylbenzamide
IUPAC
N-benzyl-4-(diethoxyphosphorylmethyl)benzamide

Names & synonyms

SCHEMBL10583932PYZCRLMBYZIMBR-UHFFFAOYSA-N4-diethoxyphosphinylmethyl-N-benzylbenzamide

Database identifiers

PubChem CID
13745802

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
64.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
25
Formal charge
0
Complexity
433

Related reactions

2 records
New reaction record
HRID 87045 reaction equation
HRID 87045As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 620720 reaction equation
HRID 620720As productuspto-grants-1989_04

Compound notes

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