3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide

C13H17Br2NO2 — CID 103946097

IUPAC3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CCO)NC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H17Br2NO2/c1-3-13(2,4-5-17)16-12(18)9-6-10(14)8-11(15)7-9/h6-8,17H,3-5H2,1-2H3,(H,16,18)
InChIKeyZYSRMPAZXYQLCP-UHFFFAOYSA-N
MW379.09 g/mol
LogP3.49
Rot. Bonds5

About 3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide

3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide (PubChem CID 103946097) has the molecular formula C13H17Br2NO2 and a molecular weight of 379.09 g/mol. Its IUPAC name is 3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
PubChem CID103946097
Molecular FormulaC13H17Br2NO2
Molecular Weight379.09 g/mol
Exact Mass376.96
IUPAC Name3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CCO)NC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H17Br2NO2/c1-3-13(2,4-5-17)16-12(18)9-6-10(14)8-11(15)7-9/h6-8,17H,3-5H2,1-2H3,(H,16,18)
InChIKeyZYSRMPAZXYQLCP-UHFFFAOYSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.09
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(1-bromo-3-methylpentan-3-yl)-5-chlorobenzamide
CID 106169473
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103945880
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide
CID 86783655
3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 113356518
N-(1-hydroxy-3-methylpentan-3-yl)-3-sulfanylbenzamide
CID 114153832
5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylthiophene-2-carboxamide
CID 113356537
3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylbenzamide
CID 103958358
4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 106164060
3-amino-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylsulfonylbenzamide
CID 106164110
5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide
CID 103945941
2-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-5-iodobenzamide
CID 113368412
2,4,5-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 110002324

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide?
The IUPAC name of 3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide (CID 103946097) is 3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide is CCC(C)(CCO)NC(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide?
The InChIKey is ZYSRMPAZXYQLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO2/c1-3-13(2,4-5-17)16-12(18)9-6-10(14)8-11(15)7-9/h6-8,17H,3-5H2,1-2H3,(H,16,18).
What are the key properties of 3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide?
3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide has a molecular weight of 379.09 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide is sourced from PubChem (CID 103946097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).