2-amino-N-(2,6-dibromo-4-methylphenyl)-3,3-dimethylbutanamide

C13H18Br2N2O — CID 76892746

IUPAC2-amino-N-(2,6-dibromo-4-methylphenyl)-3,3-dimethylbutanamide
SMILESCc1cc(Br)c(NC(=O)C(N)C(C)(C)C)c(Br)c1
InChIInChI=1S/C13H18Br2N2O/c1-7-5-8(14)10(9(15)6-7)17-12(18)11(16)13(2,3)4/h5-6,11H,16H2,1-4H3,(H,17,18)
InChIKeyMDFJKCKSNDTXEM-UHFFFAOYSA-N
MW378.11 g/mol
LogP3.83
Rot. Bonds2

About 2-amino-N-(2,6-dibromo-4-methylphenyl)-3,3-dimethylbutanamide

2-amino-N-(2,6-dibromo-4-methylphenyl)-3,3-dimethylbutanamide (PubChem CID 76892746) has the molecular formula C13H18Br2N2O and a molecular weight of 378.11 g/mol. Its IUPAC name is 2-amino-N-(2,6-dibromo-4-methylphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2,6-dibromo-4-methylphenyl)-3,3-dimethylbutanamide
PubChem CID76892746
Molecular FormulaC13H18Br2N2O
Molecular Weight378.11 g/mol
Exact Mass375.98
IUPAC Name2-amino-N-(2,6-dibromo-4-methylphenyl)-3,3-dimethylbutanamide
SMILESCc1cc(Br)c(NC(=O)C(N)C(C)(C)C)c(Br)c1
InChIInChI=1S/C13H18Br2N2O/c1-7-5-8(14)10(9(15)6-7)17-12(18)11(16)13(2,3)4/h5-6,11H,16H2,1-4H3,(H,17,18)
InChIKeyMDFJKCKSNDTXEM-UHFFFAOYSA-N
XLogP3.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.11
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide
CID 76892574
2-amino-N-(2,6-dibromophenyl)-3,3-dimethylbutanamide
CID 107599700
(2R)-2-amino-N-(2-bromo-4-methylphenyl)-3,3-dimethylbutanamide
CID 113353272
(2R)-2-amino-N-(2,6-dibromo-4-methylphenyl)-4-methylpentanamide
CID 28991563
N-(2,6-dibromo-4-methylphenyl)-2,2-dimethylpropanamide
CID 60629516
2-amino-N-(4-bromo-3-methylphenyl)-3,3-dimethylbutanamide
CID 76891825
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide
CID 61149215
(2R)-2-amino-3,3-dimethyl-N-(2,3,5,6-tetrafluorophenyl)butanamide
CID 107641656
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119670354
2-amino-N-(2,5-dibromophenyl)-3,3-dimethylbutanamide
CID 76887880
(2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-3,3-dimethylbutanamide
CID 113445501
1-tert-butyl-3-(2,6-dibromo-4-methylphenyl)urea
CID 113218257

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,6-dibromo-4-methylphenyl)-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-(2,6-dibromo-4-methylphenyl)-3,3-dimethylbutanamide (CID 76892746) is 2-amino-N-(2,6-dibromo-4-methylphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(2,6-dibromo-4-methylphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(2,6-dibromo-4-methylphenyl)-3,3-dimethylbutanamide is Cc1cc(Br)c(NC(=O)C(N)C(C)(C)C)c(Br)c1.
What is the InChIKey of 2-amino-N-(2,6-dibromo-4-methylphenyl)-3,3-dimethylbutanamide?
The InChIKey is MDFJKCKSNDTXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2O/c1-7-5-8(14)10(9(15)6-7)17-12(18)11(16)13(2,3)4/h5-6,11H,16H2,1-4H3,(H,17,18).
What are the key properties of 2-amino-N-(2,6-dibromo-4-methylphenyl)-3,3-dimethylbutanamide?
2-amino-N-(2,6-dibromo-4-methylphenyl)-3,3-dimethylbutanamide has a molecular weight of 378.11 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,6-dibromo-4-methylphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 76892746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).