N-bis(2-chlorophenoxy)phosphoryl-2-methoxyaniline

C19H16Cl2NO4P — CID 2305274

IUPACN-bis(2-chlorophenoxy)phosphoryl-2-methoxyaniline
SMILESCOc1ccccc1NP(=O)(Oc1ccccc1Cl)Oc1ccccc1Cl
InChIInChI=1S/C19H16Cl2NO4P/c1-24-19-13-7-4-10-16(19)22-27(23,25-17-11-5-2-8-14(17)20)26-18-12-6-3-9-15(18)21/h2-13H,1H3,(H,22,23)
InChIKeyVKIONQQYIAGZAW-UHFFFAOYSA-N
MW424.22 g/mol
LogP6.68
Rot. Bonds7

About N-bis(2-chlorophenoxy)phosphoryl-2-methoxyaniline

N-bis(2-chlorophenoxy)phosphoryl-2-methoxyaniline (PubChem CID 2305274) has the molecular formula C19H16Cl2NO4P and a molecular weight of 424.22 g/mol. Its IUPAC name is N-bis(2-chlorophenoxy)phosphoryl-2-methoxyaniline.

Molecular Properties

Compound NameN-bis(2-chlorophenoxy)phosphoryl-2-methoxyaniline
PubChem CID2305274
Molecular FormulaC19H16Cl2NO4P
Molecular Weight424.22 g/mol
Exact Mass423.02
IUPAC NameN-bis(2-chlorophenoxy)phosphoryl-2-methoxyaniline
SMILESCOc1ccccc1NP(=O)(Oc1ccccc1Cl)Oc1ccccc1Cl
InChIInChI=1S/C19H16Cl2NO4P/c1-24-19-13-7-4-10-16(19)22-27(23,25-17-11-5-2-8-14(17)20)26-18-12-6-3-9-15(18)21/h2-13H,1H3,(H,22,23)
InChIKeyVKIONQQYIAGZAW-UHFFFAOYSA-N
XLogP6.68
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.22
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-bis(2-chlorophenoxy)phosphoryl-2-methoxyaniline?
The IUPAC name of N-bis(2-chlorophenoxy)phosphoryl-2-methoxyaniline (CID 2305274) is N-bis(2-chlorophenoxy)phosphoryl-2-methoxyaniline.
What is the SMILES notation for N-bis(2-chlorophenoxy)phosphoryl-2-methoxyaniline?
The canonical SMILES for N-bis(2-chlorophenoxy)phosphoryl-2-methoxyaniline is COc1ccccc1NP(=O)(Oc1ccccc1Cl)Oc1ccccc1Cl.
What is the InChIKey of N-bis(2-chlorophenoxy)phosphoryl-2-methoxyaniline?
The InChIKey is VKIONQQYIAGZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2NO4P/c1-24-19-13-7-4-10-16(19)22-27(23,25-17-11-5-2-8-14(17)20)26-18-12-6-3-9-15(18)21/h2-13H,1H3,(H,22,23).
What are the key properties of N-bis(2-chlorophenoxy)phosphoryl-2-methoxyaniline?
N-bis(2-chlorophenoxy)phosphoryl-2-methoxyaniline has a molecular weight of 424.22 g/mol, XLogP of 6.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(2-chlorophenoxy)phosphoryl-2-methoxyaniline is sourced from PubChem (CID 2305274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).