ethyl N-(2,6-dibromo-4-methylphenyl)carbamate

C10H11Br2NO2 — CID 60651437

IUPACethyl N-(2,6-dibromo-4-methylphenyl)carbamate
SMILESCCOC(=O)Nc1c(Br)cc(C)cc1Br
InChIInChI=1S/C10H11Br2NO2/c1-3-15-10(14)13-9-7(11)4-6(2)5-8(9)12/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeyMPQHPIJZAFJNGU-UHFFFAOYSA-N
MW337.01 g/mol
LogP4.09
Rot. Bonds2

About ethyl N-(2,6-dibromo-4-methylphenyl)carbamate

ethyl N-(2,6-dibromo-4-methylphenyl)carbamate (PubChem CID 60651437) has the molecular formula C10H11Br2NO2 and a molecular weight of 337.01 g/mol. Its IUPAC name is ethyl N-(2,6-dibromo-4-methylphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2,6-dibromo-4-methylphenyl)carbamate
PubChem CID60651437
Molecular FormulaC10H11Br2NO2
Molecular Weight337.01 g/mol
Exact Mass334.92
IUPAC Nameethyl N-(2,6-dibromo-4-methylphenyl)carbamate
SMILESCCOC(=O)Nc1c(Br)cc(C)cc1Br
InChIInChI=1S/C10H11Br2NO2/c1-3-15-10(14)13-9-7(11)4-6(2)5-8(9)12/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeyMPQHPIJZAFJNGU-UHFFFAOYSA-N
XLogP4.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.01
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 116654064
tert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 65143138
ethyl N-[2-(2,6-dibromo-4-methylphenoxy)acetyl]carbamate
CID 8914727
ethyl N-[(2-amino-6-bromo-4-methylphenyl)sulfamoyl]carbamate
CID 114461807
3-bromo-N-(2,6-dibromo-4-methylphenyl)propanamide
CID 115571577
5-bromo-2-(ethoxycarbonylamino)-3-methylbenzoic acid
CID 162371314
ethyl N-(5-bromo-2,4-difluorophenyl)carbamate
CID 102855180
N-(2,6-dibromo-4-methylphenyl)-2-(propylamino)acetamide
CID 60648396
N-(2,6-dibromo-4-methylphenyl)-2,2-dimethylpropanamide
CID 60629516
ethyl N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)carbamate
CID 139371054
1-butyl-3-(2,6-dibromo-4-methylphenyl)urea
CID 115569894
(2R)-2-amino-N-(2,6-dibromo-4-methylphenyl)-4-methylpentanamide
CID 28991563

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2,6-dibromo-4-methylphenyl)carbamate?
The IUPAC name of ethyl N-(2,6-dibromo-4-methylphenyl)carbamate (CID 60651437) is ethyl N-(2,6-dibromo-4-methylphenyl)carbamate.
What is the SMILES notation for ethyl N-(2,6-dibromo-4-methylphenyl)carbamate?
The canonical SMILES for ethyl N-(2,6-dibromo-4-methylphenyl)carbamate is CCOC(=O)Nc1c(Br)cc(C)cc1Br.
What is the InChIKey of ethyl N-(2,6-dibromo-4-methylphenyl)carbamate?
The InChIKey is MPQHPIJZAFJNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO2/c1-3-15-10(14)13-9-7(11)4-6(2)5-8(9)12/h4-5H,3H2,1-2H3,(H,13,14).
What are the key properties of ethyl N-(2,6-dibromo-4-methylphenyl)carbamate?
ethyl N-(2,6-dibromo-4-methylphenyl)carbamate has a molecular weight of 337.01 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2,6-dibromo-4-methylphenyl)carbamate is sourced from PubChem (CID 60651437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).