2,3-dichloro-N-diphenoxyphosphorylaniline

C18H14Cl2NO3P — CID 2285507

IUPAC2,3-dichloro-N-diphenoxyphosphorylaniline
SMILESO=P(Nc1cccc(Cl)c1Cl)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H14Cl2NO3P/c19-16-12-7-13-17(18(16)20)21-25(22,23-14-8-3-1-4-9-14)24-15-10-5-2-6-11-15/h1-13H,(H,21,22)
InChIKeyPFTLKSKQDDAINX-UHFFFAOYSA-N
MW394.19 g/mol
LogP6.67
Rot. Bonds6

About 2,3-dichloro-N-diphenoxyphosphorylaniline

2,3-dichloro-N-diphenoxyphosphorylaniline (PubChem CID 2285507) has the molecular formula C18H14Cl2NO3P and a molecular weight of 394.19 g/mol. Its IUPAC name is 2,3-dichloro-N-diphenoxyphosphorylaniline.

Molecular Properties

Compound Name2,3-dichloro-N-diphenoxyphosphorylaniline
PubChem CID2285507
Molecular FormulaC18H14Cl2NO3P
Molecular Weight394.19 g/mol
Exact Mass393.01
IUPAC Name2,3-dichloro-N-diphenoxyphosphorylaniline
SMILESO=P(Nc1cccc(Cl)c1Cl)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H14Cl2NO3P/c19-16-12-7-13-17(18(16)20)21-25(22,23-14-8-3-1-4-9-14)24-15-10-5-2-6-11-15/h1-13H,(H,21,22)
InChIKeyPFTLKSKQDDAINX-UHFFFAOYSA-N
XLogP6.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.19
LogP ≤ 56.67
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 2,3-dichloro-N-diphenoxyphosphorylaniline?
The IUPAC name of 2,3-dichloro-N-diphenoxyphosphorylaniline (CID 2285507) is 2,3-dichloro-N-diphenoxyphosphorylaniline.
What is the SMILES notation for 2,3-dichloro-N-diphenoxyphosphorylaniline?
The canonical SMILES for 2,3-dichloro-N-diphenoxyphosphorylaniline is O=P(Nc1cccc(Cl)c1Cl)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 2,3-dichloro-N-diphenoxyphosphorylaniline?
The InChIKey is PFTLKSKQDDAINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2NO3P/c19-16-12-7-13-17(18(16)20)21-25(22,23-14-8-3-1-4-9-14)24-15-10-5-2-6-11-15/h1-13H,(H,21,22).
What are the key properties of 2,3-dichloro-N-diphenoxyphosphorylaniline?
2,3-dichloro-N-diphenoxyphosphorylaniline has a molecular weight of 394.19 g/mol, XLogP of 6.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-diphenoxyphosphorylaniline is sourced from PubChem (CID 2285507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).