propan-2-yl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]propanoate

C12H16Cl2NO3P — CID 144828748

IUPACpropan-2-yl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]propanoate
SMILESCC(C)OC(=O)C(C)NP(Cl)Oc1ccc(Cl)cc1
InChIInChI=1S/C12H16Cl2NO3P/c1-8(2)17-12(16)9(3)15-19(14)18-11-6-4-10(13)5-7-11/h4-9,15H,1-3H3
InChIKeyBZPBQAOMWBJHRV-UHFFFAOYSA-N
MW324.14 g/mol
LogP4.11
Rot. Bonds6

About propan-2-yl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]propanoate

propan-2-yl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]propanoate (PubChem CID 144828748) has the molecular formula C12H16Cl2NO3P and a molecular weight of 324.14 g/mol. Its IUPAC name is propan-2-yl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]propanoate
PubChem CID144828748
Molecular FormulaC12H16Cl2NO3P
Molecular Weight324.14 g/mol
Exact Mass323.02
IUPAC Namepropan-2-yl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]propanoate
SMILESCC(C)OC(=O)C(C)NP(Cl)Oc1ccc(Cl)cc1
InChIInChI=1S/C12H16Cl2NO3P/c1-8(2)17-12(16)9(3)15-19(14)18-11-6-4-10(13)5-7-11/h4-9,15H,1-3H3
InChIKeyBZPBQAOMWBJHRV-UHFFFAOYSA-N
XLogP4.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylpropyl (2S)-2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]propanoate
CID 144803948
methyl 2-[[chloro(phenoxy)phosphanyl]amino]propanoate
CID 123530665
ethane;propan-2-yl (2R)-2-[[methyl(phenoxy)phosphanyl]amino]propanoate
CID 144948822
butan-2-yl 2-[[(4-chlorophenoxy)-[(2,3,4,5,6-pentafluorophenyl)methyl]phosphanyl]amino]propanoate
CID 134290037
chloro-N-(1-oxo-1-propan-2-yloxypropan-2-yl)phosphonamidous acid
CID 123139392
1-chloro-4-dichlorophosphoryloxybenzene;methane;phosphoryl trichloride;propan-2-yl (2S)-2-[[chloro-(4-chlorophenoxy)phosphoryl]amino]propanoate
CID 161104099
2,2-dimethylpropyl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]acetate
CID 130254517
propan-2-yl 2-[(2,4-dichlorobenzoyl)amino]propanoate
CID 110191872
[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphonous acid
CID 144985569
methyl 3-(4-chlorophenoxy)-2-methylpropanoate
CID 43537622
propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]butanoate
CID 153490802
2-methylpropyl (2S)-2-(4-chloroanilino)propanoate
CID 54074575

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]propanoate?
The IUPAC name of propan-2-yl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]propanoate (CID 144828748) is propan-2-yl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]propanoate.
What is the SMILES notation for propan-2-yl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]propanoate?
The canonical SMILES for propan-2-yl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]propanoate is CC(C)OC(=O)C(C)NP(Cl)Oc1ccc(Cl)cc1.
What is the InChIKey of propan-2-yl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]propanoate?
The InChIKey is BZPBQAOMWBJHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2NO3P/c1-8(2)17-12(16)9(3)15-19(14)18-11-6-4-10(13)5-7-11/h4-9,15H,1-3H3.
What are the key properties of propan-2-yl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]propanoate?
propan-2-yl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]propanoate has a molecular weight of 324.14 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]propanoate is sourced from PubChem (CID 144828748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).