2-bromo-4-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)benzamide

C11H11BrCl3NO — CID 107994107

IUPAC2-bromo-4-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)benzamide
SMILESCC(CCl)(CCl)NC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C11H11BrCl3NO/c1-11(5-13,6-14)16-10(17)8-3-2-7(15)4-9(8)12/h2-4H,5-6H2,1H3,(H,16,17)
InChIKeyUGSYDUGPPASWHD-UHFFFAOYSA-N
MW359.48 g/mol
LogP4.07
Rot. Bonds4

About 2-bromo-4-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)benzamide

2-bromo-4-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)benzamide (PubChem CID 107994107) has the molecular formula C11H11BrCl3NO and a molecular weight of 359.48 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)benzamide
PubChem CID107994107
Molecular FormulaC11H11BrCl3NO
Molecular Weight359.48 g/mol
Exact Mass356.91
IUPAC Name2-bromo-4-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)benzamide
SMILESCC(CCl)(CCl)NC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C11H11BrCl3NO/c1-11(5-13,6-14)16-10(17)8-3-2-7(15)4-9(8)12/h2-4H,5-6H2,1H3,(H,16,17)
InChIKeyUGSYDUGPPASWHD-UHFFFAOYSA-N
XLogP4.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
CID 114303802
2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 107994084
2-bromo-4-chloro-N-(2-methylpentan-2-yl)benzamide
CID 103764879
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-chlorobenzamide;hydrochloride
CID 119599263
2-bromo-4-chloro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103825239
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromo-4-chlorobenzamide
CID 113257326
2,4-dibromo-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide
CID 104920704
2,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzamide
CID 114295303
N-(1-chloro-2-methylbutan-2-yl)-2,3,4-trifluorobenzamide
CID 114303732
2-[[(2-bromo-4-chlorobenzoyl)amino]methyl]-2-ethylbutanoic acid
CID 107986918
2-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-methylbenzamide
CID 106863915
1-(2-bromo-4-chlorophenyl)-2-chloroethanone
CID 103693977

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)benzamide (CID 107994107) is 2-bromo-4-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)benzamide is CC(CCl)(CCl)NC(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)benzamide?
The InChIKey is UGSYDUGPPASWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrCl3NO/c1-11(5-13,6-14)16-10(17)8-3-2-7(15)4-9(8)12/h2-4H,5-6H2,1H3,(H,16,17).
What are the key properties of 2-bromo-4-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)benzamide?
2-bromo-4-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)benzamide has a molecular weight of 359.48 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 107994107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).