ethyl N-[2-(2,4-dichlorophenoxy)acetyl]carbamate

C11H11Cl2NO4 — CID 2628002

IUPACethyl N-[2-(2,4-dichlorophenoxy)acetyl]carbamate
SMILESCCOC(=O)NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2NO4/c1-2-17-11(16)14-10(15)6-18-9-4-3-7(12)5-8(9)13/h3-5H,2,6H2,1H3,(H,14,15,16)
InChIKeyJAAUAGOZQZZLKV-UHFFFAOYSA-N
MW292.12 g/mol
LogP2.64
Rot. Bonds4

About ethyl N-[2-(2,4-dichlorophenoxy)acetyl]carbamate

ethyl N-[2-(2,4-dichlorophenoxy)acetyl]carbamate (PubChem CID 2628002) has the molecular formula C11H11Cl2NO4 and a molecular weight of 292.12 g/mol. Its IUPAC name is ethyl N-[2-(2,4-dichlorophenoxy)acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2,4-dichlorophenoxy)acetyl]carbamate
PubChem CID2628002
Molecular FormulaC11H11Cl2NO4
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC Nameethyl N-[2-(2,4-dichlorophenoxy)acetyl]carbamate
SMILESCCOC(=O)NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2NO4/c1-2-17-11(16)14-10(15)6-18-9-4-3-7(12)5-8(9)13/h3-5H,2,6H2,1H3,(H,14,15,16)
InChIKeyJAAUAGOZQZZLKV-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
CID 47437686
N-(aminocarbamothioyl)-2-(2,4-dichlorophenoxy)acetamide
CID 134122788
N-(tert-butylcarbamoyl)-2-(2,4-dichlorophenoxy)acetamide
CID 2640450
2-(2,4-dichlorophenoxy)-N-(2,5-dimethylpyrrol-1-yl)acetamide
CID 12620177
potassium 2-(2,4-dichlorophenoxy)-N-oxidoacetamide
CID 23697377
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]oxyacetic acid
CID 60668024
2-(2,4-dichlorophenoxy)-N-(2-hydroxyethylcarbamoyl)acetamide
CID 27396145
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 120508613
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801
2-(2,4-dichlorophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 2500686
2-(4-bromo-2-methylphenoxy)-N-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamothioyl]acetamide
CID 3491324

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2,4-dichlorophenoxy)acetyl]carbamate?
The IUPAC name of ethyl N-[2-(2,4-dichlorophenoxy)acetyl]carbamate (CID 2628002) is ethyl N-[2-(2,4-dichlorophenoxy)acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-(2,4-dichlorophenoxy)acetyl]carbamate?
The canonical SMILES for ethyl N-[2-(2,4-dichlorophenoxy)acetyl]carbamate is CCOC(=O)NC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl N-[2-(2,4-dichlorophenoxy)acetyl]carbamate?
The InChIKey is JAAUAGOZQZZLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO4/c1-2-17-11(16)14-10(15)6-18-9-4-3-7(12)5-8(9)13/h3-5H,2,6H2,1H3,(H,14,15,16).
What are the key properties of ethyl N-[2-(2,4-dichlorophenoxy)acetyl]carbamate?
ethyl N-[2-(2,4-dichlorophenoxy)acetyl]carbamate has a molecular weight of 292.12 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2,4-dichlorophenoxy)acetyl]carbamate is sourced from PubChem (CID 2628002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).