1-chloro-4-dichlorophosphoryloxybenzene;methane;phosphoryl trichloride;propan-2-yl (2S)-2-[[chloro-(4-chlorophenoxy)phosphoryl]amino]propanoate

C19H24Cl8NO7P3 — CID 161104099

IUPAC1-chloro-4-dichlorophosphoryloxybenzene;methane;phosphoryl trichloride;propan-2-yl (2S)-2-[[chloro-(4-chlorophenoxy)phosphoryl]amino]propanoate
SMILESC.CC(C)OC(=O)[C@H](C)NP(=O)(Cl)Oc1ccc(Cl)cc1.O=P(Cl)(Cl)Cl.O=P(Cl)(Cl)Oc1ccc(Cl)cc1
InChIInChI=1S/C12H16Cl2NO4P.C6H4Cl3O2P.CH4.Cl3OP/c1-8(2)18-12(16)9(3)15-20(14,17)19-11-6-4-10(13)5-7-11;7-5-1-3-6(4-2-5)11-12(8,9)10;;1-5(2,3)4/h4-9H,1-3H3,(H,15,17);1-4H;1H4;/t9-,20?;;;/m0.../s1
InChIKeyUIUXYELEIURYKB-PUWONAEUSA-N
MW754.95 g/mol
LogP11.75
Rot. Bonds8

About 1-chloro-4-dichlorophosphoryloxybenzene;methane;phosphoryl trichloride;propan-2-yl (2S)-2-[[chloro-(4-chlorophenoxy)phosphoryl]amino]propanoate

1-chloro-4-dichlorophosphoryloxybenzene;methane;phosphoryl trichloride;propan-2-yl (2S)-2-[[chloro-(4-chlorophenoxy)phosphoryl]amino]propanoate (PubChem CID 161104099) has the molecular formula C19H24Cl8NO7P3 and a molecular weight of 754.95 g/mol. Its IUPAC name is 1-chloro-4-dichlorophosphoryloxybenzene;methane;phosphoryl trichloride;propan-2-yl (2S)-2-[[chloro-(4-chlorophenoxy)phosphoryl]amino]propanoate.

Molecular Properties

Compound Name1-chloro-4-dichlorophosphoryloxybenzene;methane;phosphoryl trichloride;propan-2-yl (2S)-2-[[chloro-(4-chlorophenoxy)phosphoryl]amino]propanoate
PubChem CID161104099
Molecular FormulaC19H24Cl8NO7P3
Molecular Weight754.95 g/mol
Exact Mass750.83
IUPAC Name1-chloro-4-dichlorophosphoryloxybenzene;methane;phosphoryl trichloride;propan-2-yl (2S)-2-[[chloro-(4-chlorophenoxy)phosphoryl]amino]propanoate
SMILESC.CC(C)OC(=O)[C@H](C)NP(=O)(Cl)Oc1ccc(Cl)cc1.O=P(Cl)(Cl)Cl.O=P(Cl)(Cl)Oc1ccc(Cl)cc1
InChIInChI=1S/C12H16Cl2NO4P.C6H4Cl3O2P.CH4.Cl3OP/c1-8(2)18-12(16)9(3)15-20(14,17)19-11-6-4-10(13)5-7-11;7-5-1-3-6(4-2-5)11-12(8,9)10;;1-5(2,3)4/h4-9H,1-3H3,(H,15,17);1-4H;1H4;/t9-,20?;;;/m0.../s1
InChIKeyUIUXYELEIURYKB-PUWONAEUSA-N
XLogP11.75
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.95
LogP ≤ 511.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-chloro-4-dichlorophosphoryloxybenzene;methane;phosphoryl trichloride;propan-2-yl (2S)-2-[[chloro-(4-chlorophenoxy)phosphoryl]amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl (2S)-2-[[(4-chlorophenoxy)-(4-nitrophenoxy)phosphoryl]amino]propanoate
CID 156688312
methyl (2S)-2-[[chloro-(4-chlorophenoxy)phosphoryl]amino]-2-iodoacetate
CID 143327902
propan-2-yl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]-2-phosphanylacetate
CID 146559026
propan-2-yl 2-[[chloro(methoxy)phosphoryl]amino]propanoate
CID 174884587
propan-2-yl (2S)-2-(diphenoxyphosphorylamino)propanoate
CID 90392548
propan-2-yl (2S)-2-[[iodo-(4-methylphenoxy)phosphoryl]amino]propanoate
CID 163894846
pentadecan-8-yl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]propanoate
CID 168741609
propan-2-yl (2S)-2-[[methyl(phenoxy)phosphoryl]amino]propanoate
CID 58463507
2-[[chloro-(4-iodophenoxy)phosphoryl]amino]propanoic acid
CID 130297948
propan-2-yl (2S)-2-[[chloro-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate
CID 87153753
propan-2-yl 2-[[methyl-[4-(4-methylphenyl)phenoxy]phosphoryl]amino]propanoate
CID 123446714
ethyl (2S)-2-[[(4-chlorophenoxy)-methylphosphoryl]amino]propanoate
CID 59483411

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-dichlorophosphoryloxybenzene;methane;phosphoryl trichloride;propan-2-yl (2S)-2-[[chloro-(4-chlorophenoxy)phosphoryl]amino]propanoate?
The IUPAC name of 1-chloro-4-dichlorophosphoryloxybenzene;methane;phosphoryl trichloride;propan-2-yl (2S)-2-[[chloro-(4-chlorophenoxy)phosphoryl]amino]propanoate (CID 161104099) is 1-chloro-4-dichlorophosphoryloxybenzene;methane;phosphoryl trichloride;propan-2-yl (2S)-2-[[chloro-(4-chlorophenoxy)phosphoryl]amino]propanoate.
What is the SMILES notation for 1-chloro-4-dichlorophosphoryloxybenzene;methane;phosphoryl trichloride;propan-2-yl (2S)-2-[[chloro-(4-chlorophenoxy)phosphoryl]amino]propanoate?
The canonical SMILES for 1-chloro-4-dichlorophosphoryloxybenzene;methane;phosphoryl trichloride;propan-2-yl (2S)-2-[[chloro-(4-chlorophenoxy)phosphoryl]amino]propanoate is C.CC(C)OC(=O)[C@H](C)NP(=O)(Cl)Oc1ccc(Cl)cc1.O=P(Cl)(Cl)Cl.O=P(Cl)(Cl)Oc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-dichlorophosphoryloxybenzene;methane;phosphoryl trichloride;propan-2-yl (2S)-2-[[chloro-(4-chlorophenoxy)phosphoryl]amino]propanoate?
The InChIKey is UIUXYELEIURYKB-PUWONAEUSA-N. The full InChI is InChI=1S/C12H16Cl2NO4P.C6H4Cl3O2P.CH4.Cl3OP/c1-8(2)18-12(16)9(3)15-20(14,17)19-11-6-4-10(13)5-7-11;7-5-1-3-6(4-2-5)11-12(8,9)10;;1-5(2,3)4/h4-9H,1-3H3,(H,15,17);1-4H;1H4;/t9-,20?;;;/m0.../s1.
What are the key properties of 1-chloro-4-dichlorophosphoryloxybenzene;methane;phosphoryl trichloride;propan-2-yl (2S)-2-[[chloro-(4-chlorophenoxy)phosphoryl]amino]propanoate?
1-chloro-4-dichlorophosphoryloxybenzene;methane;phosphoryl trichloride;propan-2-yl (2S)-2-[[chloro-(4-chlorophenoxy)phosphoryl]amino]propanoate has a molecular weight of 754.95 g/mol, XLogP of 11.75, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-dichlorophosphoryloxybenzene;methane;phosphoryl trichloride;propan-2-yl (2S)-2-[[chloro-(4-chlorophenoxy)phosphoryl]amino]propanoate is sourced from PubChem (CID 161104099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).