2-amino-N-(5-bromo-2-iodophenyl)-3,3-dimethylbutanamide

C12H16BrIN2O — CID 113288456

IUPAC2-amino-N-(5-bromo-2-iodophenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)Nc1cc(Br)ccc1I
InChIInChI=1S/C12H16BrIN2O/c1-12(2,3)10(15)11(17)16-9-6-7(13)4-5-8(9)14/h4-6,10H,15H2,1-3H3,(H,16,17)
InChIKeyDGTZJLQUGSDZAK-UHFFFAOYSA-N
MW411.08 g/mol
LogP3.37
Rot. Bonds2

About 2-amino-N-(5-bromo-2-iodophenyl)-3,3-dimethylbutanamide

2-amino-N-(5-bromo-2-iodophenyl)-3,3-dimethylbutanamide (PubChem CID 113288456) has the molecular formula C12H16BrIN2O and a molecular weight of 411.08 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-2-iodophenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-2-iodophenyl)-3,3-dimethylbutanamide
PubChem CID113288456
Molecular FormulaC12H16BrIN2O
Molecular Weight411.08 g/mol
Exact Mass409.95
IUPAC Name2-amino-N-(5-bromo-2-iodophenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)Nc1cc(Br)ccc1I
InChIInChI=1S/C12H16BrIN2O/c1-12(2,3)10(15)11(17)16-9-6-7(13)4-5-8(9)14/h4-6,10H,15H2,1-3H3,(H,16,17)
InChIKeyDGTZJLQUGSDZAK-UHFFFAOYSA-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

2-amino-N-(2,5-dibromophenyl)-3,3-dimethylbutanamide
CID 76887880
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
(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 54967646
2-[(5-bromo-2-iodophenyl)carbamoyl]-3,3-dimethylbutanoic acid
CID 114261245
(2R)-2-amino-N-(2-bromo-4-iodophenyl)-3,3-dimethylbutanamide
CID 114259905
N-(5-bromo-2-iodophenyl)-2-methoxypropanamide
CID 47403053
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide
CID 61149215
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119670354
(2S)-2-amino-N-(2-bromophenyl)-3,3-dimethylbutanamide
CID 61148878
(2S)-2-amino-N-(3-bromophenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119670393
(2R)-2-amino-N-(2-bromo-4-methylphenyl)-3,3-dimethylbutanamide
CID 113353272

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-2-iodophenyl)-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-(5-bromo-2-iodophenyl)-3,3-dimethylbutanamide (CID 113288456) is 2-amino-N-(5-bromo-2-iodophenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(5-bromo-2-iodophenyl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(5-bromo-2-iodophenyl)-3,3-dimethylbutanamide is CC(C)(C)C(N)C(=O)Nc1cc(Br)ccc1I.
What is the InChIKey of 2-amino-N-(5-bromo-2-iodophenyl)-3,3-dimethylbutanamide?
The InChIKey is DGTZJLQUGSDZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrIN2O/c1-12(2,3)10(15)11(17)16-9-6-7(13)4-5-8(9)14/h4-6,10H,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-(5-bromo-2-iodophenyl)-3,3-dimethylbutanamide?
2-amino-N-(5-bromo-2-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 2-amino-N-(5-bromo-2-iodophenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 113288456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).