2-chloro-N-[chloro-(4-chlorophenoxy)phosphoryl]-N-(2-chloroethyl)ethanamine

C10H12Cl4NO2P — CID 12748528

IUPAC2-chloro-N-[chloro-(4-chlorophenoxy)phosphoryl]-N-(2-chloroethyl)ethanamine
SMILESO=P(Cl)(Oc1ccc(Cl)cc1)N(CCCl)CCCl
InChIInChI=1S/C10H12Cl4NO2P/c11-5-7-15(8-6-12)18(14,16)17-10-3-1-9(13)2-4-10/h1-4H,5-8H2
InChIKeySMFGOGNYBPJJHL-UHFFFAOYSA-N
MW351.00 g/mol
LogP4.85
Rot. Bonds7

About 2-chloro-N-[chloro-(4-chlorophenoxy)phosphoryl]-N-(2-chloroethyl)ethanamine

2-chloro-N-[chloro-(4-chlorophenoxy)phosphoryl]-N-(2-chloroethyl)ethanamine (PubChem CID 12748528) has the molecular formula C10H12Cl4NO2P and a molecular weight of 351.00 g/mol. Its IUPAC name is 2-chloro-N-[chloro-(4-chlorophenoxy)phosphoryl]-N-(2-chloroethyl)ethanamine.

Molecular Properties

Compound Name2-chloro-N-[chloro-(4-chlorophenoxy)phosphoryl]-N-(2-chloroethyl)ethanamine
PubChem CID12748528
Molecular FormulaC10H12Cl4NO2P
Molecular Weight351.00 g/mol
Exact Mass348.94
IUPAC Name2-chloro-N-[chloro-(4-chlorophenoxy)phosphoryl]-N-(2-chloroethyl)ethanamine
SMILESO=P(Cl)(Oc1ccc(Cl)cc1)N(CCCl)CCCl
InChIInChI=1S/C10H12Cl4NO2P/c11-5-7-15(8-6-12)18(14,16)17-10-3-1-9(13)2-4-10/h1-4H,5-8H2
InChIKeySMFGOGNYBPJJHL-UHFFFAOYSA-N
XLogP4.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.00
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[chloro-(4-chlorophenoxy)phosphoryl]-N-(2-chloroethyl)ethanamine?
The IUPAC name of 2-chloro-N-[chloro-(4-chlorophenoxy)phosphoryl]-N-(2-chloroethyl)ethanamine (CID 12748528) is 2-chloro-N-[chloro-(4-chlorophenoxy)phosphoryl]-N-(2-chloroethyl)ethanamine.
What is the SMILES notation for 2-chloro-N-[chloro-(4-chlorophenoxy)phosphoryl]-N-(2-chloroethyl)ethanamine?
The canonical SMILES for 2-chloro-N-[chloro-(4-chlorophenoxy)phosphoryl]-N-(2-chloroethyl)ethanamine is O=P(Cl)(Oc1ccc(Cl)cc1)N(CCCl)CCCl.
What is the InChIKey of 2-chloro-N-[chloro-(4-chlorophenoxy)phosphoryl]-N-(2-chloroethyl)ethanamine?
The InChIKey is SMFGOGNYBPJJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl4NO2P/c11-5-7-15(8-6-12)18(14,16)17-10-3-1-9(13)2-4-10/h1-4H,5-8H2.
What are the key properties of 2-chloro-N-[chloro-(4-chlorophenoxy)phosphoryl]-N-(2-chloroethyl)ethanamine?
2-chloro-N-[chloro-(4-chlorophenoxy)phosphoryl]-N-(2-chloroethyl)ethanamine has a molecular weight of 351.00 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[chloro-(4-chlorophenoxy)phosphoryl]-N-(2-chloroethyl)ethanamine is sourced from PubChem (CID 12748528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).