4-bromo-N-(2-hydroxy-2-methylbutyl)benzamide

C12H16BrNO2 — CID 65111325

IUPAC4-bromo-N-(2-hydroxy-2-methylbutyl)benzamide
SMILESCCC(C)(O)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2/c1-3-12(2,16)8-14-11(15)9-4-6-10(13)7-5-9/h4-7,16H,3,8H2,1-2H3,(H,14,15)
InChIKeyBCVQTYZMOVQUBE-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.34
Rot. Bonds4

About 4-bromo-N-(2-hydroxy-2-methylbutyl)benzamide

4-bromo-N-(2-hydroxy-2-methylbutyl)benzamide (PubChem CID 65111325) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 4-bromo-N-(2-hydroxy-2-methylbutyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-hydroxy-2-methylbutyl)benzamide
PubChem CID65111325
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name4-bromo-N-(2-hydroxy-2-methylbutyl)benzamide
SMILESCCC(C)(O)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2/c1-3-12(2,16)8-14-11(15)9-4-6-10(13)7-5-9/h4-7,16H,3,8H2,1-2H3,(H,14,15)
InChIKeyBCVQTYZMOVQUBE-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[2-[(2-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide
CID 65114999
3,5-dibromo-N-(2-hydroxy-2-methylbutyl)benzamide
CID 103908910
N-(2-hydroxy-2-methylbutyl)-4-methylbenzamide
CID 65109665
4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65107691
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 113322189
N-(2-amino-2-methylpropyl)-4-bromobenzamide
CID 81482664
5-bromo-N-(2-hydroxy-2-methylbutyl)pyridine-3-carboxamide
CID 65111151
N-(2-hydroxy-2-methylbutyl)-4-propan-2-yloxybenzamide
CID 65114317
4-bromo-N-(5-bromo-2,2-dimethylpentyl)benzamide
CID 114149699
4-bromo-N-[2-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 113090383
N-[2-[(2-hydroxy-2-methylbutyl)amino]ethyl]-4-methylbenzamide
CID 114492848
3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66168403

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-hydroxy-2-methylbutyl)benzamide?
The IUPAC name of 4-bromo-N-(2-hydroxy-2-methylbutyl)benzamide (CID 65111325) is 4-bromo-N-(2-hydroxy-2-methylbutyl)benzamide.
What is the SMILES notation for 4-bromo-N-(2-hydroxy-2-methylbutyl)benzamide?
The canonical SMILES for 4-bromo-N-(2-hydroxy-2-methylbutyl)benzamide is CCC(C)(O)CNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-hydroxy-2-methylbutyl)benzamide?
The InChIKey is BCVQTYZMOVQUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-3-12(2,16)8-14-11(15)9-4-6-10(13)7-5-9/h4-7,16H,3,8H2,1-2H3,(H,14,15).
What are the key properties of 4-bromo-N-(2-hydroxy-2-methylbutyl)benzamide?
4-bromo-N-(2-hydroxy-2-methylbutyl)benzamide has a molecular weight of 286.17 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-hydroxy-2-methylbutyl)benzamide is sourced from PubChem (CID 65111325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).