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

C12H14BrClINO — CID 107859840

IUPAC4-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide
SMILESCC(C)C(CI)NC(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H14BrClINO/c1-7(2)11(6-15)16-12(17)9-4-3-8(13)5-10(9)14/h3-5,7,11H,6H2,1-2H3,(H,16,17)
InChIKeyYGEILKMIYHSNHS-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.29
Rot. Bonds4

About 4-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide

4-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide (PubChem CID 107859840) has the molecular formula C12H14BrClINO and a molecular weight of 430.51 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide
PubChem CID107859840
Molecular FormulaC12H14BrClINO
Molecular Weight430.51 g/mol
Exact Mass428.90
IUPAC Name4-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide
SMILESCC(C)C(CI)NC(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H14BrClINO/c1-7(2)11(6-15)16-12(17)9-4-3-8(13)5-10(9)14/h3-5,7,11H,6H2,1-2H3,(H,16,17)
InChIKeyYGEILKMIYHSNHS-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

4-bromo-2-chloro-N-(1-hydroxypropan-2-yl)benzamide
CID 43805745
3-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107860048
2-chloro-N-(1-chloro-3-methylbutan-2-yl)-4-methylbenzamide
CID 106863924
4-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914681
2-[(4-bromo-2-chlorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 43805447
(2S)-2-[(4-bromo-2-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 61172061
4-bromo-2-chloro-N-(1-cyanopropyl)benzamide
CID 61119482
4-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide
CID 79246429
N-[1-(4-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide
CID 43805366
2-chloro-N-(1-iodo-3-methylbutan-2-yl)-3-methylbenzamide
CID 107859884
4-bromo-2-fluoro-N-(2-methylpentan-3-yl)benzamide
CID 54949695
5-bromo-2-chloro-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 92742810

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide?
The IUPAC name of 4-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide (CID 107859840) is 4-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide is CC(C)C(CI)NC(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide?
The InChIKey is YGEILKMIYHSNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClINO/c1-7(2)11(6-15)16-12(17)9-4-3-8(13)5-10(9)14/h3-5,7,11H,6H2,1-2H3,(H,16,17).
What are the key properties of 4-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide?
4-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 4-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 107859840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).