tert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate

C12H15Br2NO2 — CID 65143138

IUPACtert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate
SMILESCc1cc(Br)c(NC(=O)OC(C)(C)C)c(Br)c1
InChIInChI=1S/C12H15Br2NO2/c1-7-5-8(13)10(9(14)6-7)15-11(16)17-12(2,3)4/h5-6H,1-4H3,(H,15,16)
InChIKeyWYHQKLCGRHBCHO-UHFFFAOYSA-N
MW365.07 g/mol
LogP4.87
Rot. Bonds1

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

tert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate (PubChem CID 65143138) has the molecular formula C12H15Br2NO2 and a molecular weight of 365.07 g/mol. Its IUPAC name is tert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate
PubChem CID65143138
Molecular FormulaC12H15Br2NO2
Molecular Weight365.07 g/mol
Exact Mass362.95
IUPAC Nametert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate
SMILESCc1cc(Br)c(NC(=O)OC(C)(C)C)c(Br)c1
InChIInChI=1S/C12H15Br2NO2/c1-7-5-8(13)10(9(14)6-7)15-11(16)17-12(2,3)4/h5-6H,1-4H3,(H,15,16)
InChIKeyWYHQKLCGRHBCHO-UHFFFAOYSA-N
XLogP4.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.07
LogP ≤ 54.87
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-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
tert-butyl N-(3,5-dimethylphenyl)carbamate;ethane
CID 143766104
ethyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 60651437
N-(2,6-dibromo-4-methylphenyl)-2,2-dimethylpropanamide
CID 60629516
tert-butyl N-(3-hydroxy-5-methylphenyl)carbamate
CID 22033548
3,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 2757215
1-tert-butyl-3-(2,6-dibromo-4-methylphenyl)urea
CID 113218257
tert-butyl N-(4-hydroxy-2,3,6-trimethylphenyl)carbamate
CID 10729437
tert-butyl N-(6-bromo-3-methoxy-2-methylphenyl)carbamate
CID 156869532
tert-butyl N-(2-chloro-6-ethyl-4-methylphenyl)carbamate
CID 58892825
tert-butyl N-(5-bromo-2,3-difluoro-4-methylphenyl)carbamate
CID 169077590

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate?
The IUPAC name of tert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate (CID 65143138) is tert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate is Cc1cc(Br)c(NC(=O)OC(C)(C)C)c(Br)c1.
What is the InChIKey of tert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate?
The InChIKey is WYHQKLCGRHBCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO2/c1-7-5-8(13)10(9(14)6-7)15-11(16)17-12(2,3)4/h5-6H,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate?
tert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate has a molecular weight of 365.07 g/mol, XLogP of 4.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate is sourced from PubChem (CID 65143138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).