3-bromo-5-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide

C12H15BrClNO2 — CID 107939685

IUPAC3-bromo-5-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide
SMILESCN(C(=O)c1cc(Cl)cc(Br)c1)C(C)(C)CO
InChIInChI=1S/C12H15BrClNO2/c1-12(2,7-16)15(3)11(17)8-4-9(13)6-10(14)5-8/h4-6,16H,7H2,1-3H3
InChIKeySOKCSTBBVHSILR-UHFFFAOYSA-N
MW320.61 g/mol
LogP2.95
Rot. Bonds3

About 3-bromo-5-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide

3-bromo-5-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide (PubChem CID 107939685) has the molecular formula C12H15BrClNO2 and a molecular weight of 320.61 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide
PubChem CID107939685
Molecular FormulaC12H15BrClNO2
Molecular Weight320.61 g/mol
Exact Mass319.00
IUPAC Name3-bromo-5-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide
SMILESCN(C(=O)c1cc(Cl)cc(Br)c1)C(C)(C)CO
InChIInChI=1S/C12H15BrClNO2/c1-12(2,7-16)15(3)11(17)8-4-9(13)6-10(14)5-8/h4-6,16H,7H2,1-3H3
InChIKeySOKCSTBBVHSILR-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

3-bromo-5-chloro-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 103827088
3-bromo-5-chloro-N-ethyl-N-methylbenzamide
CID 103826781
N-(3-amino-2,2-dimethylpropyl)-3-bromo-5-chloro-N-methylbenzamide
CID 114018521
3-bromo-N-butyl-5-chloro-N-methylbenzamide
CID 110415930
3-bromo-5-chloro-N-(cyanomethyl)-N-methylbenzamide
CID 103826873
3-bromo-5-chloro-N-methyl-N-prop-2-enylbenzamide
CID 104952959
3-[(3-bromo-5-chlorobenzoyl)-tert-butylamino]propanoic acid
CID 107937782
3-bromo-5-chloro-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 103826716
3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 103827012
2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide
CID 113475573
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-dione
CID 139745262
3-bromo-5-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
CID 104630033

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide?
The IUPAC name of 3-bromo-5-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide (CID 107939685) is 3-bromo-5-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide is CN(C(=O)c1cc(Cl)cc(Br)c1)C(C)(C)CO.
What is the InChIKey of 3-bromo-5-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide?
The InChIKey is SOKCSTBBVHSILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2/c1-12(2,7-16)15(3)11(17)8-4-9(13)6-10(14)5-8/h4-6,16H,7H2,1-3H3.
What are the key properties of 3-bromo-5-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide?
3-bromo-5-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 3-bromo-5-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 107939685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).