ethyl N-[2-(2,6-dibromo-4-methylphenoxy)acetyl]carbamate

C12H13Br2NO4 — CID 8914727

IUPACethyl N-[2-(2,6-dibromo-4-methylphenoxy)acetyl]carbamate
SMILESCCOC(=O)NC(=O)COc1c(Br)cc(C)cc1Br
InChIInChI=1S/C12H13Br2NO4/c1-3-18-12(17)15-10(16)6-19-11-8(13)4-7(2)5-9(11)14/h4-5H,3,6H2,1-2H3,(H,15,16,17)
InChIKeyYVKBZDZPHPXUEJ-UHFFFAOYSA-N
MW395.05 g/mol
LogP3.17
Rot. Bonds4

About ethyl N-[2-(2,6-dibromo-4-methylphenoxy)acetyl]carbamate

ethyl N-[2-(2,6-dibromo-4-methylphenoxy)acetyl]carbamate (PubChem CID 8914727) has the molecular formula C12H13Br2NO4 and a molecular weight of 395.05 g/mol. Its IUPAC name is ethyl N-[2-(2,6-dibromo-4-methylphenoxy)acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2,6-dibromo-4-methylphenoxy)acetyl]carbamate
PubChem CID8914727
Molecular FormulaC12H13Br2NO4
Molecular Weight395.05 g/mol
Exact Mass392.92
IUPAC Nameethyl N-[2-(2,6-dibromo-4-methylphenoxy)acetyl]carbamate
SMILESCCOC(=O)NC(=O)COc1c(Br)cc(C)cc1Br
InChIInChI=1S/C12H13Br2NO4/c1-3-18-12(17)15-10(16)6-19-11-8(13)4-7(2)5-9(11)14/h4-5H,3,6H2,1-2H3,(H,15,16,17)
InChIKeyYVKBZDZPHPXUEJ-UHFFFAOYSA-N
XLogP3.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.05
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-6-chloro-4-methylphenoxy)acetohydrazide
CID 54793109
ethyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 60651437
ethyl N-[2-(2,4-dichlorophenoxy)acetyl]carbamate
CID 2628002
N-carbamoyl-2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetamide
CID 107742179
2-[2-(ethoxycarbonylamino)-2-oxoethoxy]-3-methylbenzoic acid
CID 60911052
4-[2-(ethoxycarbonylamino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 43215127
2-(2,6-dibromo-4-methylphenoxy)-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 46501283
2-(2,6-dibromo-4-methylphenoxy)-1-phenylethanone
CID 8914654
3,5-dibromo-4-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 103694206
methyl 4-[2-(ethoxycarbonylamino)-2-oxoethoxy]benzoate
CID 7965360
ethyl 2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetate
CID 107742173
2-(2,6-dibromo-4-methylphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 1034891

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2,6-dibromo-4-methylphenoxy)acetyl]carbamate?
The IUPAC name of ethyl N-[2-(2,6-dibromo-4-methylphenoxy)acetyl]carbamate (CID 8914727) is ethyl N-[2-(2,6-dibromo-4-methylphenoxy)acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-(2,6-dibromo-4-methylphenoxy)acetyl]carbamate?
The canonical SMILES for ethyl N-[2-(2,6-dibromo-4-methylphenoxy)acetyl]carbamate is CCOC(=O)NC(=O)COc1c(Br)cc(C)cc1Br.
What is the InChIKey of ethyl N-[2-(2,6-dibromo-4-methylphenoxy)acetyl]carbamate?
The InChIKey is YVKBZDZPHPXUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2NO4/c1-3-18-12(17)15-10(16)6-19-11-8(13)4-7(2)5-9(11)14/h4-5H,3,6H2,1-2H3,(H,15,16,17).
What are the key properties of ethyl N-[2-(2,6-dibromo-4-methylphenoxy)acetyl]carbamate?
ethyl N-[2-(2,6-dibromo-4-methylphenoxy)acetyl]carbamate has a molecular weight of 395.05 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2,6-dibromo-4-methylphenoxy)acetyl]carbamate is sourced from PubChem (CID 8914727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).