N-(2,6-dibromo-4-methylphenyl)-2,2-dimethylpropanamide

C12H15Br2NO — CID 60629516

IUPACN-(2,6-dibromo-4-methylphenyl)-2,2-dimethylpropanamide
SMILESCc1cc(Br)c(NC(=O)C(C)(C)C)c(Br)c1
InChIInChI=1S/C12H15Br2NO/c1-7-5-8(13)10(9(14)6-7)15-11(16)12(2,3)4/h5-6H,1-4H3,(H,15,16)
InChIKeyNQSTXWMJHUTXJG-UHFFFAOYSA-N
MW349.07 g/mol
LogP4.50
Rot. Bonds1

About N-(2,6-dibromo-4-methylphenyl)-2,2-dimethylpropanamide

N-(2,6-dibromo-4-methylphenyl)-2,2-dimethylpropanamide (PubChem CID 60629516) has the molecular formula C12H15Br2NO and a molecular weight of 349.07 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)-2,2-dimethylpropanamide
PubChem CID60629516
Molecular FormulaC12H15Br2NO
Molecular Weight349.07 g/mol
Exact Mass346.95
IUPAC NameN-(2,6-dibromo-4-methylphenyl)-2,2-dimethylpropanamide
SMILESCc1cc(Br)c(NC(=O)C(C)(C)C)c(Br)c1
InChIInChI=1S/C12H15Br2NO/c1-7-5-8(13)10(9(14)6-7)15-11(16)12(2,3)4/h5-6H,1-4H3,(H,15,16)
InChIKeyNQSTXWMJHUTXJG-UHFFFAOYSA-N
XLogP4.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.07
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-3-(2,6-dibromo-4-methylphenyl)urea
CID 113218257
N-(2,6-dibromo-4-methylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 114033268
tert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 65143138
methyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 116654064
2-amino-N-(2,6-dibromo-4-methylphenyl)-3,3-dimethylbutanamide
CID 76892746
N-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 107612461
N-(2,6-dibromo-4-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 54917894
ethyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 60651437
2-methoxy-2-methyl-N-(2,4,6-tribromophenyl)propanamide
CID 103028807
3-bromo-N-(2,6-dibromo-4-methylphenyl)propanamide
CID 115571577
N-(2,6-dibromo-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964623
4-[(2,6-dibromo-4-methylphenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66001604

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2,2-dimethylpropanamide (CID 60629516) is N-(2,6-dibromo-4-methylphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)-2,2-dimethylpropanamide is Cc1cc(Br)c(NC(=O)C(C)(C)C)c(Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)-2,2-dimethylpropanamide?
The InChIKey is NQSTXWMJHUTXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO/c1-7-5-8(13)10(9(14)6-7)15-11(16)12(2,3)4/h5-6H,1-4H3,(H,15,16).
What are the key properties of N-(2,6-dibromo-4-methylphenyl)-2,2-dimethylpropanamide?
N-(2,6-dibromo-4-methylphenyl)-2,2-dimethylpropanamide has a molecular weight of 349.07 g/mol, XLogP of 4.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-methylphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 60629516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).