3-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide

C12H14BrClINO — CID 107860048

IUPAC3-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide
SMILESCC(C)C(CI)NC(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C12H14BrClINO/c1-7(2)10(6-15)16-12(17)8-4-3-5-9(13)11(8)14/h3-5,7,10H,6H2,1-2H3,(H,16,17)
InChIKeyJSSKTCJSUUNYHF-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.29
Rot. Bonds4

About 3-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide

3-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide (PubChem CID 107860048) has the molecular formula C12H14BrClINO and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide
PubChem CID107860048
Molecular FormulaC12H14BrClINO
Molecular Weight430.51 g/mol
Exact Mass428.90
IUPAC Name3-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide
SMILESCC(C)C(CI)NC(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C12H14BrClINO/c1-7(2)10(6-15)16-12(17)8-4-3-5-9(13)11(8)14/h3-5,7,10H,6H2,1-2H3,(H,16,17)
InChIKeyJSSKTCJSUUNYHF-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.29
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-chloro-N-(1-iodo-3-methylbutan-2-yl)-3-methylbenzamide
CID 107859884
2-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107859993
3-bromo-2-chloro-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 103990835
3-bromo-2-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 103994750
3-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-2-methylbenzamide
CID 107859822
4-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107859840
3-bromo-2-chloro-N-(1-methoxypropan-2-yl)benzamide
CID 103975283
5-[(3-bromo-2-chlorobenzoyl)amino]hexanoic acid
CID 113402887
N-(1-iodo-3-methylbutan-2-yl)-2-methylsulfanylbenzamide
CID 107860038
3-bromo-2-chloro-N-(4-ethylsulfanylbutan-2-yl)benzamide
CID 113362656
ethyl 3-[(3-bromo-2-chlorobenzoyl)amino]butanoate
CID 122136457
2-bromo-N-(1-bromo-3-methylbutan-2-yl)benzamide
CID 114315987

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide (CID 107860048) is 3-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide is CC(C)C(CI)NC(=O)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide?
The InChIKey is JSSKTCJSUUNYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClINO/c1-7(2)10(6-15)16-12(17)8-4-3-5-9(13)11(8)14/h3-5,7,10H,6H2,1-2H3,(H,16,17).
What are the key properties of 3-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide?
3-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide has a molecular weight of 430.51 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 107860048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).