(2R)-2-amino-N-(2-bromo-4-iodophenyl)-3,3-dimethylbutanamide

C12H16BrIN2O — CID 114259905

IUPAC(2R)-2-amino-N-(2-bromo-4-iodophenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)Nc1ccc(I)cc1Br
InChIInChI=1S/C12H16BrIN2O/c1-12(2,3)10(15)11(17)16-9-5-4-7(14)6-8(9)13/h4-6,10H,15H2,1-3H3,(H,16,17)/t10-/m0/s1
InChIKeyCXVSGYLKGTYSSV-JTQLQIEISA-N
MW411.08 g/mol
LogP3.37
Rot. Bonds2

About (2R)-2-amino-N-(2-bromo-4-iodophenyl)-3,3-dimethylbutanamide

(2R)-2-amino-N-(2-bromo-4-iodophenyl)-3,3-dimethylbutanamide (PubChem CID 114259905) has the molecular formula C12H16BrIN2O and a molecular weight of 411.08 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-bromo-4-iodophenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-bromo-4-iodophenyl)-3,3-dimethylbutanamide
PubChem CID114259905
Molecular FormulaC12H16BrIN2O
Molecular Weight411.08 g/mol
Exact Mass409.95
IUPAC Name(2R)-2-amino-N-(2-bromo-4-iodophenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)Nc1ccc(I)cc1Br
InChIInChI=1S/C12H16BrIN2O/c1-12(2,3)10(15)11(17)16-9-5-4-7(14)6-8(9)13/h4-6,10H,15H2,1-3H3,(H,16,17)/t10-/m0/s1
InChIKeyCXVSGYLKGTYSSV-JTQLQIEISA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.08
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-(2-bromo-4-methylphenyl)-3,3-dimethylbutanamide
CID 113353272
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-iodobenzoic acid
CID 103929880
(2S)-2-amino-N-(2-bromophenyl)-3,3-dimethylbutanamide
CID 61148878
2-amino-N-(5-bromo-2-iodophenyl)-3,3-dimethylbutanamide
CID 113288456
2-amino-N-(2,5-dibromophenyl)-3,3-dimethylbutanamide
CID 76887880
2-bromo-N-(2-bromo-4-iodophenyl)butanamide
CID 130498554
(2R)-2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3,3-dimethylbutanamide
CID 103413783
(2R)-2-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3,3-dimethylbutanamide
CID 103928868
(2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-3,3-dimethylbutanamide
CID 113445501
(2R)-2-amino-N-(3-bromo-2-hydroxyphenyl)-3,3-dimethylbutanamide
CID 103930341
2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide
CID 76887238
(2R)-2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide
CID 113353346

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-bromo-4-iodophenyl)-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2-bromo-4-iodophenyl)-3,3-dimethylbutanamide (CID 114259905) is (2R)-2-amino-N-(2-bromo-4-iodophenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-bromo-4-iodophenyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2-bromo-4-iodophenyl)-3,3-dimethylbutanamide is CC(C)(C)[C@@H](N)C(=O)Nc1ccc(I)cc1Br.
What is the InChIKey of (2R)-2-amino-N-(2-bromo-4-iodophenyl)-3,3-dimethylbutanamide?
The InChIKey is CXVSGYLKGTYSSV-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16BrIN2O/c1-12(2,3)10(15)11(17)16-9-5-4-7(14)6-8(9)13/h4-6,10H,15H2,1-3H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (2R)-2-amino-N-(2-bromo-4-iodophenyl)-3,3-dimethylbutanamide?
(2R)-2-amino-N-(2-bromo-4-iodophenyl)-3,3-dimethylbutanamide has a molecular weight of 411.08 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-bromo-4-iodophenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 114259905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).