3,5-dibromo-N-(3-hydroxy-2,2-dimethylpropyl)benzamide

C12H15Br2NO2 — CID 113349822

IUPAC3,5-dibromo-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
SMILESCC(C)(CO)CNC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H15Br2NO2/c1-12(2,7-16)6-15-11(17)8-3-9(13)5-10(14)4-8/h3-5,16H,6-7H2,1-2H3,(H,15,17)
InChIKeyUKWOVKOWFYTWIG-UHFFFAOYSA-N
MW365.07 g/mol
LogP2.96
Rot. Bonds4

About 3,5-dibromo-N-(3-hydroxy-2,2-dimethylpropyl)benzamide

3,5-dibromo-N-(3-hydroxy-2,2-dimethylpropyl)benzamide (PubChem CID 113349822) has the molecular formula C12H15Br2NO2 and a molecular weight of 365.07 g/mol. Its IUPAC name is 3,5-dibromo-N-(3-hydroxy-2,2-dimethylpropyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
PubChem CID113349822
Molecular FormulaC12H15Br2NO2
Molecular Weight365.07 g/mol
Exact Mass362.95
IUPAC Name3,5-dibromo-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
SMILESCC(C)(CO)CNC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H15Br2NO2/c1-12(2,7-16)6-15-11(17)8-3-9(13)5-10(14)4-8/h3-5,16H,6-7H2,1-2H3,(H,15,17)
InChIKeyUKWOVKOWFYTWIG-UHFFFAOYSA-N
XLogP2.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.07
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-N-(2-hydroxy-2-methylbutyl)benzamide
CID 103908910
3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 104851794
3-bromo-N-(4-chloro-2,2-dimethylbutyl)-5-nitrobenzamide
CID 106142912
3-bromo-5-chloro-N-(5-chloro-2,2-dimethylpentyl)benzamide
CID 106144604
3-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 110465856
3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772540
3-bromo-5-(2,2-dimethylpropylcarbamoyl)benzenesulfonyl chloride
CID 65371168
3,5-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 103907463
N-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide
CID 115267254
2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)furan-3-carboxamide
CID 106854194
N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-3-bromo-5-chlorobenzamide
CID 107939068
3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103946097

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(3-hydroxy-2,2-dimethylpropyl)benzamide?
The IUPAC name of 3,5-dibromo-N-(3-hydroxy-2,2-dimethylpropyl)benzamide (CID 113349822) is 3,5-dibromo-N-(3-hydroxy-2,2-dimethylpropyl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(3-hydroxy-2,2-dimethylpropyl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(3-hydroxy-2,2-dimethylpropyl)benzamide is CC(C)(CO)CNC(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(3-hydroxy-2,2-dimethylpropyl)benzamide?
The InChIKey is UKWOVKOWFYTWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO2/c1-12(2,7-16)6-15-11(17)8-3-9(13)5-10(14)4-8/h3-5,16H,6-7H2,1-2H3,(H,15,17).
What are the key properties of 3,5-dibromo-N-(3-hydroxy-2,2-dimethylpropyl)benzamide?
3,5-dibromo-N-(3-hydroxy-2,2-dimethylpropyl)benzamide has a molecular weight of 365.07 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(3-hydroxy-2,2-dimethylpropyl)benzamide is sourced from PubChem (CID 113349822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).