2-amino-N-(2,6-dibromophenyl)-3,3-dimethylbutanamide

C12H16Br2N2O — CID 107599700

IUPAC2-amino-N-(2,6-dibromophenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C12H16Br2N2O/c1-12(2,3)10(15)11(17)16-9-7(13)5-4-6-8(9)14/h4-6,10H,15H2,1-3H3,(H,16,17)
InChIKeyCVEXZSMOUPXIBD-UHFFFAOYSA-N
MW364.08 g/mol
LogP3.52
Rot. Bonds2

About 2-amino-N-(2,6-dibromophenyl)-3,3-dimethylbutanamide

2-amino-N-(2,6-dibromophenyl)-3,3-dimethylbutanamide (PubChem CID 107599700) has the molecular formula C12H16Br2N2O and a molecular weight of 364.08 g/mol. Its IUPAC name is 2-amino-N-(2,6-dibromophenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2,6-dibromophenyl)-3,3-dimethylbutanamide
PubChem CID107599700
Molecular FormulaC12H16Br2N2O
Molecular Weight364.08 g/mol
Exact Mass361.96
IUPAC Name2-amino-N-(2,6-dibromophenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C12H16Br2N2O/c1-12(2,3)10(15)11(17)16-9-7(13)5-4-6-8(9)14/h4-6,10H,15H2,1-3H3,(H,16,17)
InChIKeyCVEXZSMOUPXIBD-UHFFFAOYSA-N
XLogP3.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.08
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2,6-dibromo-4-methylphenyl)-3,3-dimethylbutanamide
CID 76892746
(2S)-2-amino-N-(2-bromophenyl)-3,3-dimethylbutanamide
CID 61148878
(2R)-2-amino-N-(3-bromo-2-hydroxyphenyl)-3,3-dimethylbutanamide
CID 103930341
2-amino-N-(2,6-dibromophenyl)propanamide
CID 12546848
(2S)-2-amino-N-(3-bromophenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119670393
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide
CID 61149215
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119670354
2-amino-N-(2,5-dibromophenyl)-3,3-dimethylbutanamide
CID 76887880
N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide
CID 76891982
2-amino-N-(4-bromo-3-methylphenyl)-3,3-dimethylbutanamide
CID 76891825
(2R)-2-amino-N-(2-bromo-4-methylphenyl)-3,3-dimethylbutanamide
CID 113353272
(2R)-2-amino-N-(2-bromo-4-iodophenyl)-3,3-dimethylbutanamide
CID 114259905

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,6-dibromophenyl)-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-(2,6-dibromophenyl)-3,3-dimethylbutanamide (CID 107599700) is 2-amino-N-(2,6-dibromophenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(2,6-dibromophenyl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(2,6-dibromophenyl)-3,3-dimethylbutanamide is CC(C)(C)C(N)C(=O)Nc1c(Br)cccc1Br.
What is the InChIKey of 2-amino-N-(2,6-dibromophenyl)-3,3-dimethylbutanamide?
The InChIKey is CVEXZSMOUPXIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O/c1-12(2,3)10(15)11(17)16-9-7(13)5-4-6-8(9)14/h4-6,10H,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-(2,6-dibromophenyl)-3,3-dimethylbutanamide?
2-amino-N-(2,6-dibromophenyl)-3,3-dimethylbutanamide has a molecular weight of 364.08 g/mol, XLogP of 3.52, 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-dibromophenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 107599700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).