2-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide

C12H15BrClNO2 — CID 107988364

IUPAC2-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1Br)C(C)(C)CO
InChIInChI=1S/C12H15BrClNO2/c1-12(2,7-16)15(3)11(17)9-5-4-8(14)6-10(9)13/h4-6,16H,7H2,1-3H3
InChIKeyYCHSYYKKRLBAEX-UHFFFAOYSA-N
MW320.61 g/mol
LogP2.95
Rot. Bonds3

About 2-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide

2-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide (PubChem CID 107988364) has the molecular formula C12H15BrClNO2 and a molecular weight of 320.61 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide
PubChem CID107988364
Molecular FormulaC12H15BrClNO2
Molecular Weight320.61 g/mol
Exact Mass319.00
IUPAC Name2-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1Br)C(C)(C)CO
InChIInChI=1S/C12H15BrClNO2/c1-12(2,7-16)15(3)11(17)9-5-4-8(14)6-10(9)13/h4-6,16H,7H2,1-3H3
InChIKeyYCHSYYKKRLBAEX-UHFFFAOYSA-N
XLogP2.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-(1-bromo-2-methylpropan-2-yl)-N-methylbenzamide
CID 107941385
4-chloro-2-hydroxy-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 63957648
3-bromo-5-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide
CID 107939685
2-[(2-bromo-4-chlorobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 107986624
2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylfuran-3-carboxamide
CID 106854337
1-(2-bromo-4-chlorophenyl)-2-hydroxyethanone
CID 157216536
2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,5-dimethylbenzamide
CID 113475389
2-[(2-bromo-4-chlorobenzoyl)-methylamino]butanoic acid
CID 107986601
2-bromo-4-chloro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103825239
2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 107994084
2-bromo-4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 107988270
2-bromo-4-chloro-N-[(3-chlorocyclobutyl)methyl]-N-methylbenzamide
CID 114025196

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide?
The IUPAC name of 2-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide (CID 107988364) is 2-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide is CN(C(=O)c1ccc(Cl)cc1Br)C(C)(C)CO.
What is the InChIKey of 2-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide?
The InChIKey is YCHSYYKKRLBAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2/c1-12(2,7-16)15(3)11(17)9-5-4-8(14)6-10(9)13/h4-6,16H,7H2,1-3H3.
What are the key properties of 2-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide?
2-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide has a molecular weight of 320.61 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 107988364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).