[(R)-(2,4-dichlorophenyl)-diethoxyphosphorylmethyl] carbamate

C12H16Cl2NO5P — CID 2317807

IUPAC[(R)-(2,4-dichlorophenyl)-diethoxyphosphorylmethyl] carbamate
SMILESCCOP(=O)(OCC)[C@@H](OC(N)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2NO5P/c1-3-18-21(17,19-4-2)11(20-12(15)16)9-6-5-8(13)7-10(9)14/h5-7,11H,3-4H2,1-2H3,(H2,15,16)/t11-/m1/s1
InChIKeyXIQOFHHQVJMLKL-LLVKDONJSA-N
MW356.14 g/mol
LogP4.35
Rot. Bonds7

About [(R)-(2,4-dichlorophenyl)-diethoxyphosphorylmethyl] carbamate

[(R)-(2,4-dichlorophenyl)-diethoxyphosphorylmethyl] carbamate (PubChem CID 2317807) has the molecular formula C12H16Cl2NO5P and a molecular weight of 356.14 g/mol. Its IUPAC name is [(R)-(2,4-dichlorophenyl)-diethoxyphosphorylmethyl] carbamate.

Molecular Properties

Compound Name[(R)-(2,4-dichlorophenyl)-diethoxyphosphorylmethyl] carbamate
PubChem CID2317807
Molecular FormulaC12H16Cl2NO5P
Molecular Weight356.14 g/mol
Exact Mass355.01
IUPAC Name[(R)-(2,4-dichlorophenyl)-diethoxyphosphorylmethyl] carbamate
SMILESCCOP(=O)(OCC)[C@@H](OC(N)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2NO5P/c1-3-18-21(17,19-4-2)11(20-12(15)16)9-6-5-8(13)7-10(9)14/h5-7,11H,3-4H2,1-2H3,(H2,15,16)/t11-/m1/s1
InChIKeyXIQOFHHQVJMLKL-LLVKDONJSA-N
XLogP4.35
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.14
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[diethoxyphosphoryl-(2-hydroxyphenyl)methyl] carbamate
CID 4986218
[(2,4-dichlorophenyl)-diethoxyphosphorylmethyl] 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyltriazole-4-carboxylate
CID 24764298
[(2,4-dichlorophenyl)-diethoxyphosphorylmethyl] 1-[(6-chloro-3-pyridinyl)methyl]-5-methyltriazole-4-carboxylate
CID 24879544
[(1R)-1-(2,4-dichlorophenyl)hexyl] carbamate
CID 144705770
[(2R)-1-(2,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate
CID 145362480
[1-(2,4-dichlorophenyl)-2-hydroxyhexyl] carbamate
CID 56596318
1-(2,4-dichlorophenyl)-1-ethoxypropan-2-one
CID 83226646
ethyl 4-chloro-4-(2,4-dichlorophenyl)butanoate
CID 82366891
1-[bis(diethoxyphosphoryl)methoxy]-3-chlorobenzene
CID 54291989
[(1R)-1-(2,4-dichlorophenyl)-2-(triazol-2-yl)ethyl] carbamate
CID 11962489
[(3S)-1-(2,4-dichlorophenyl)-4-(methoxymethoxy)-3-methylbutyl] carbamate
CID 175407200
1-(2,4-dichlorophenyl)-N-diethoxyphosphoryl-1-diphenoxyphosphorylmethanamine
CID 14959157

Frequently Asked Questions

What is the IUPAC name of [(R)-(2,4-dichlorophenyl)-diethoxyphosphorylmethyl] carbamate?
The IUPAC name of [(R)-(2,4-dichlorophenyl)-diethoxyphosphorylmethyl] carbamate (CID 2317807) is [(R)-(2,4-dichlorophenyl)-diethoxyphosphorylmethyl] carbamate.
What is the SMILES notation for [(R)-(2,4-dichlorophenyl)-diethoxyphosphorylmethyl] carbamate?
The canonical SMILES for [(R)-(2,4-dichlorophenyl)-diethoxyphosphorylmethyl] carbamate is CCOP(=O)(OCC)[C@@H](OC(N)=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of [(R)-(2,4-dichlorophenyl)-diethoxyphosphorylmethyl] carbamate?
The InChIKey is XIQOFHHQVJMLKL-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16Cl2NO5P/c1-3-18-21(17,19-4-2)11(20-12(15)16)9-6-5-8(13)7-10(9)14/h5-7,11H,3-4H2,1-2H3,(H2,15,16)/t11-/m1/s1.
What are the key properties of [(R)-(2,4-dichlorophenyl)-diethoxyphosphorylmethyl] carbamate?
[(R)-(2,4-dichlorophenyl)-diethoxyphosphorylmethyl] carbamate has a molecular weight of 356.14 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-(2,4-dichlorophenyl)-diethoxyphosphorylmethyl] carbamate is sourced from PubChem (CID 2317807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).