2,2-dimethylpropyl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]acetate

C13H18Cl2NO3P — CID 130254517

IUPAC2,2-dimethylpropyl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]acetate
SMILESCC(C)(C)COC(=O)CNP(Cl)Oc1ccc(Cl)cc1
InChIInChI=1S/C13H18Cl2NO3P/c1-13(2,3)9-18-12(17)8-16-20(15)19-11-6-4-10(14)5-7-11/h4-7,16H,8-9H2,1-3H3
InChIKeyGYPNOFZNJPLZCG-UHFFFAOYSA-N
MW338.17 g/mol
LogP4.36
Rot. Bonds6

About 2,2-dimethylpropyl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]acetate

2,2-dimethylpropyl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]acetate (PubChem CID 130254517) has the molecular formula C13H18Cl2NO3P and a molecular weight of 338.17 g/mol. Its IUPAC name is 2,2-dimethylpropyl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]acetate.

Molecular Properties

Compound Name2,2-dimethylpropyl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]acetate
PubChem CID130254517
Molecular FormulaC13H18Cl2NO3P
Molecular Weight338.17 g/mol
Exact Mass337.04
IUPAC Name2,2-dimethylpropyl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]acetate
SMILESCC(C)(C)COC(=O)CNP(Cl)Oc1ccc(Cl)cc1
InChIInChI=1S/C13H18Cl2NO3P/c1-13(2,3)9-18-12(17)8-16-20(15)19-11-6-4-10(14)5-7-11/h4-7,16H,8-9H2,1-3H3
InChIKeyGYPNOFZNJPLZCG-UHFFFAOYSA-N
XLogP4.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 54.36
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
propan-2-yl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]propanoate
CID 144828748
N-(4-chlorophenoxy)propanamide
CID 87714410
1-chloro-4-propan-2-ylbenzene;2,2-dimethylpropyl N-propan-2-ylcarbamate;methane;yttrium
CID 160801795
dimethyl 2-[(4-chlorophenoxy)methyl]-2-methylpropanedioate
CID 66921686
ethyl 2-[1-(4-chlorophenoxy)ethylcarbamoylamino]acetate
CID 108880029
(4-chlorophenyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 137320625
propan-2-yl 2-[[(4-chlorophenoxy)-(2-methoxypent-4-ynoxy)phosphanyl]amino]acetate
CID 134289881
2-methoxyethyl 2-(4-chloroanilino)acetate
CID 61302455
2-(benzylsulfonylamino)-3-(4-chlorophenoxy)-2-methylpropanamide
CID 58916978
N-[2-(4-chlorophenoxy)ethyl]-2,2-dimethylpropanamide
CID 56922590
2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanamide
CID 3044350

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]acetate?
The IUPAC name of 2,2-dimethylpropyl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]acetate (CID 130254517) is 2,2-dimethylpropyl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]acetate.
What is the SMILES notation for 2,2-dimethylpropyl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]acetate?
The canonical SMILES for 2,2-dimethylpropyl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]acetate is CC(C)(C)COC(=O)CNP(Cl)Oc1ccc(Cl)cc1.
What is the InChIKey of 2,2-dimethylpropyl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]acetate?
The InChIKey is GYPNOFZNJPLZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2NO3P/c1-13(2,3)9-18-12(17)8-16-20(15)19-11-6-4-10(14)5-7-11/h4-7,16H,8-9H2,1-3H3.
What are the key properties of 2,2-dimethylpropyl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]acetate?
2,2-dimethylpropyl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]acetate has a molecular weight of 338.17 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]acetate is sourced from PubChem (CID 130254517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).