ethyl 2-[(2,6-dichlorophenyl)carbamoyloxy]acetate

C11H11Cl2NO4 — CID 137462640

IUPACethyl 2-[(2,6-dichlorophenyl)carbamoyloxy]acetate
SMILESCCOC(=O)COC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C11H11Cl2NO4/c1-2-17-9(15)6-18-11(16)14-10-7(12)4-3-5-8(10)13/h3-5H,2,6H2,1H3,(H,14,16)
InChIKeySKDXYXBHGDBTEJ-UHFFFAOYSA-N
MW292.12 g/mol
LogP3.11
Rot. Bonds4

About ethyl 2-[(2,6-dichlorophenyl)carbamoyloxy]acetate

ethyl 2-[(2,6-dichlorophenyl)carbamoyloxy]acetate (PubChem CID 137462640) has the molecular formula C11H11Cl2NO4 and a molecular weight of 292.12 g/mol. Its IUPAC name is ethyl 2-[(2,6-dichlorophenyl)carbamoyloxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(2,6-dichlorophenyl)carbamoyloxy]acetate
PubChem CID137462640
Molecular FormulaC11H11Cl2NO4
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC Nameethyl 2-[(2,6-dichlorophenyl)carbamoyloxy]acetate
SMILESCCOC(=O)COC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C11H11Cl2NO4/c1-2-17-9(15)6-18-11(16)14-10-7(12)4-3-5-8(10)13/h3-5H,2,6H2,1H3,(H,14,16)
InChIKeySKDXYXBHGDBTEJ-UHFFFAOYSA-N
XLogP3.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-chlorophenylcarbamate
CID 528085
Isopropyl N-(2,4-dichlorophenyl)carbamate
CID 16519
Isopropyl N-(2-chlorophenyl)carbamate
CID 220683
1-(Carbobutoxy)ethyl N-(3-chlorophenyl)carbamate
CID 294501
[N-(2,4-dichlorophenyl)carbamoyl]methyl acetate
CID 716415
[2-(2,6-dichloroanilino)-2-oxoethyl] (E)-but-2-enoate
CID 2362868
2,4-Dichlorophenylurethane
CID 80626
Propyl N-(2,4-dichlorophenyl)carbamate
CID 4381614
Methyl N-(2,6-dichlorophenyl)carbamate
CID 5067519
4-O-[2-(2,6-dichloroanilino)-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 6367725
Ethyl 3-(2,6-dichloroanilino)-3-oxo-propanoate
CID 53750578
2-Chloroethyl N-(2,6-dichlorophenyl)carbamate
CID 5093154

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,6-dichlorophenyl)carbamoyloxy]acetate?
The IUPAC name of ethyl 2-[(2,6-dichlorophenyl)carbamoyloxy]acetate (CID 137462640) is ethyl 2-[(2,6-dichlorophenyl)carbamoyloxy]acetate.
What is the SMILES notation for ethyl 2-[(2,6-dichlorophenyl)carbamoyloxy]acetate?
The canonical SMILES for ethyl 2-[(2,6-dichlorophenyl)carbamoyloxy]acetate is CCOC(=O)COC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of ethyl 2-[(2,6-dichlorophenyl)carbamoyloxy]acetate?
The InChIKey is SKDXYXBHGDBTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO4/c1-2-17-9(15)6-18-11(16)14-10-7(12)4-3-5-8(10)13/h3-5H,2,6H2,1H3,(H,14,16).
What are the key properties of ethyl 2-[(2,6-dichlorophenyl)carbamoyloxy]acetate?
ethyl 2-[(2,6-dichlorophenyl)carbamoyloxy]acetate has a molecular weight of 292.12 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,6-dichlorophenyl)carbamoyloxy]acetate is sourced from PubChem (CID 137462640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).