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

C9H9Br2NO2 — CID 116654064

IUPACmethyl N-(2,6-dibromo-4-methylphenyl)carbamate
SMILESCOC(=O)Nc1c(Br)cc(C)cc1Br
InChIInChI=1S/C9H9Br2NO2/c1-5-3-6(10)8(7(11)4-5)12-9(13)14-2/h3-4H,1-2H3,(H,12,13)
InChIKeySJLOASWIDCFAGR-UHFFFAOYSA-N
MW322.98 g/mol
LogP3.70
Rot. Bonds1

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

methyl N-(2,6-dibromo-4-methylphenyl)carbamate (PubChem CID 116654064) has the molecular formula C9H9Br2NO2 and a molecular weight of 322.98 g/mol. Its IUPAC name is methyl N-(2,6-dibromo-4-methylphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2,6-dibromo-4-methylphenyl)carbamate
PubChem CID116654064
Molecular FormulaC9H9Br2NO2
Molecular Weight322.98 g/mol
Exact Mass320.90
IUPAC Namemethyl N-(2,6-dibromo-4-methylphenyl)carbamate
SMILESCOC(=O)Nc1c(Br)cc(C)cc1Br
InChIInChI=1S/C9H9Br2NO2/c1-5-3-6(10)8(7(11)4-5)12-9(13)14-2/h3-4H,1-2H3,(H,12,13)
InChIKeySJLOASWIDCFAGR-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.98
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 65143138
ethyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 60651437
N-(2,6-dibromo-4-methylphenyl)-2,2-dimethylpropanamide
CID 60629516
3-bromo-N-(2,6-dibromo-4-methylphenyl)propanamide
CID 115571577
1-tert-butyl-3-(2,6-dibromo-4-methylphenyl)urea
CID 113218257
cyclopentyl N-(2-bromo-4,6-dimethylphenyl)carbamate
CID 112738566
methyl N-(4-hydroxy-2,6-dimethylphenyl)carbamate
CID 46786378
N-(2,6-dibromo-4-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 54917894
methyl N-[2,6-dibromo-4-[2-(tert-butylamino)-1-hydroxyethyl]phenyl]carbamate
CID 12861510
N-(2,6-dibromo-4-methylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 114033268
2-amino-N-(2,6-dibromo-4-methylphenyl)-3,3-dimethylbutanamide
CID 76892746
N-(2,6-dibromo-4-methylphenyl)-4-iodobenzamide
CID 60629541

Frequently Asked Questions

What is the IUPAC name of methyl N-(2,6-dibromo-4-methylphenyl)carbamate?
The IUPAC name of methyl N-(2,6-dibromo-4-methylphenyl)carbamate (CID 116654064) is methyl N-(2,6-dibromo-4-methylphenyl)carbamate.
What is the SMILES notation for methyl N-(2,6-dibromo-4-methylphenyl)carbamate?
The canonical SMILES for methyl N-(2,6-dibromo-4-methylphenyl)carbamate is COC(=O)Nc1c(Br)cc(C)cc1Br.
What is the InChIKey of methyl N-(2,6-dibromo-4-methylphenyl)carbamate?
The InChIKey is SJLOASWIDCFAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2NO2/c1-5-3-6(10)8(7(11)4-5)12-9(13)14-2/h3-4H,1-2H3,(H,12,13).
What are the key properties of methyl N-(2,6-dibromo-4-methylphenyl)carbamate?
methyl N-(2,6-dibromo-4-methylphenyl)carbamate has a molecular weight of 322.98 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2,6-dibromo-4-methylphenyl)carbamate is sourced from PubChem (CID 116654064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).