O-[2-(2,6-dimethyl-3-pyridylamino)-2-ketoethyl] O-methyl O-(4-chlorophenyl) phosphate

HCID 54372328
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Basic information

Standard SMILES
COP(=O)(OCC(=O)Nc1ccc(C)nc1C)Oc1ccc(Cl)cc1
InChIKey
UUBOVDCOEXQKLU-UHFFFAOYSA-N
Molecular formula
C16H18ClN2O5P
Average molar mass
384.75 g/mol

Names & identifiers

Preferred name
O-[2-(2,6-dimethyl-3-pyridylamino)-2-ketoethyl] O-methyl O-(4-chlorophenyl) phosphate
IUPAC
(4-chlorophenyl) [2-[(2,6-dimethyl-3-pyridinyl)amino]-2-oxoethyl] methyl phosphate

Names & synonyms

SCHEMBL11800068UUBOVDCOEXQKLU-UHFFFAOYSA-NO-[2-(2,6-dimethyl-3-pyridylamino)-2-ketoethyl] O-methyl O-(4-chlorophenyl) phosphate

Database identifiers

PubChem CID
54372328

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
86.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
25

Related reactions

2 records
New reaction record

Linked notes

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