N-(1-bromo-3-methylbutan-2-yl)-2-iodobenzamide

C12H15BrINO — CID 114316113

IUPACN-(1-bromo-3-methylbutan-2-yl)-2-iodobenzamide
SMILESCC(C)C(CBr)NC(=O)c1ccccc1I
InChIInChI=1S/C12H15BrINO/c1-8(2)11(7-13)15-12(16)9-5-3-4-6-10(9)14/h3-6,8,11H,7H2,1-2H3,(H,15,16)
InChIKeyVKSWVXMPUSRNGF-UHFFFAOYSA-N
MW396.07 g/mol
LogP3.44
Rot. Bonds4

About N-(1-bromo-3-methylbutan-2-yl)-2-iodobenzamide

N-(1-bromo-3-methylbutan-2-yl)-2-iodobenzamide (PubChem CID 114316113) has the molecular formula C12H15BrINO and a molecular weight of 396.07 g/mol. Its IUPAC name is N-(1-bromo-3-methylbutan-2-yl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylbutan-2-yl)-2-iodobenzamide
PubChem CID114316113
Molecular FormulaC12H15BrINO
Molecular Weight396.07 g/mol
Exact Mass394.94
IUPAC NameN-(1-bromo-3-methylbutan-2-yl)-2-iodobenzamide
SMILESCC(C)C(CBr)NC(=O)c1ccccc1I
InChIInChI=1S/C12H15BrINO/c1-8(2)11(7-13)15-12(16)9-5-3-4-6-10(9)14/h3-6,8,11H,7H2,1-2H3,(H,15,16)
InChIKeyVKSWVXMPUSRNGF-UHFFFAOYSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.07
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-(2-methylpentan-3-yl)benzamide
CID 61465043
2-bromo-N-(1-bromo-3-methylbutan-2-yl)benzamide
CID 114315987
N-butan-2-yl-2-iodobenzamide
CID 3344108
N-(1-bromo-3-methylbutan-2-yl)-1-hydroxynaphthalene-2-carboxamide
CID 114315986
2-iodo-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 60776174
N-(1,3-dihydroxypropan-2-yl)-2-iodobenzamide
CID 65312404
N-[1-(4-bromophenyl)ethyl]-2-iodobenzamide
CID 42906427
2-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-3-carboxamide
CID 106856169
N-[(1R)-1-(2-bromophenyl)ethyl]-2-iodobenzamide
CID 26085546
N-(1-bromo-3-methylbutan-2-yl)-2-methyl-3-nitrobenzamide
CID 113276013
2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 27742948
(2R)-2-[(2-iodobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 113353045

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methylbutan-2-yl)-2-iodobenzamide?
The IUPAC name of N-(1-bromo-3-methylbutan-2-yl)-2-iodobenzamide (CID 114316113) is N-(1-bromo-3-methylbutan-2-yl)-2-iodobenzamide.
What is the SMILES notation for N-(1-bromo-3-methylbutan-2-yl)-2-iodobenzamide?
The canonical SMILES for N-(1-bromo-3-methylbutan-2-yl)-2-iodobenzamide is CC(C)C(CBr)NC(=O)c1ccccc1I.
What is the InChIKey of N-(1-bromo-3-methylbutan-2-yl)-2-iodobenzamide?
The InChIKey is VKSWVXMPUSRNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrINO/c1-8(2)11(7-13)15-12(16)9-5-3-4-6-10(9)14/h3-6,8,11H,7H2,1-2H3,(H,15,16).
What are the key properties of N-(1-bromo-3-methylbutan-2-yl)-2-iodobenzamide?
N-(1-bromo-3-methylbutan-2-yl)-2-iodobenzamide has a molecular weight of 396.07 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methylbutan-2-yl)-2-iodobenzamide is sourced from PubChem (CID 114316113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).