3-bromo-4-chloro-N-(2-hydroxy-4-methylpentyl)benzamide

C13H17BrClNO2 — CID 103842950

IUPAC3-bromo-4-chloro-N-(2-hydroxy-4-methylpentyl)benzamide
SMILESCC(C)CC(O)CNC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H17BrClNO2/c1-8(2)5-10(17)7-16-13(18)9-3-4-12(15)11(14)6-9/h3-4,6,8,10,17H,5,7H2,1-2H3,(H,16,18)
InChIKeyDGKZTZFGBUAWGT-UHFFFAOYSA-N
MW334.64 g/mol
LogP3.24
Rot. Bonds5

About 3-bromo-4-chloro-N-(2-hydroxy-4-methylpentyl)benzamide

3-bromo-4-chloro-N-(2-hydroxy-4-methylpentyl)benzamide (PubChem CID 103842950) has the molecular formula C13H17BrClNO2 and a molecular weight of 334.64 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(2-hydroxy-4-methylpentyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(2-hydroxy-4-methylpentyl)benzamide
PubChem CID103842950
Molecular FormulaC13H17BrClNO2
Molecular Weight334.64 g/mol
Exact Mass333.01
IUPAC Name3-bromo-4-chloro-N-(2-hydroxy-4-methylpentyl)benzamide
SMILESCC(C)CC(O)CNC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H17BrClNO2/c1-8(2)5-10(17)7-16-13(18)9-3-4-12(15)11(14)6-9/h3-4,6,8,10,17H,5,7H2,1-2H3,(H,16,18)
InChIKeyDGKZTZFGBUAWGT-UHFFFAOYSA-N
XLogP3.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide
CID 103770930
3-[(3-bromo-4-chlorobenzoyl)amino]-2-hydroxypropanoic acid
CID 107997968
3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103770831
(2S)-2-[(3-bromo-4-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 114025710
3-bromo-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
CID 103842939
3-bromo-4-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 103841687
N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-chlorobenzamide
CID 114024777
5-amino-2-chloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 107150578
3-bromo-N-(2-bromo-4-methylpentyl)-4-methylbenzamide
CID 107157706
4-tert-butyl-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103771049
3-bromo-N-(4-bromo-2-ethylbutyl)-4-chlorobenzamide
CID 107994072
3-bromo-4-chloro-N-[2-(dimethylamino)-3-ethylpentyl]benzamide
CID 107999470

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(2-hydroxy-4-methylpentyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(2-hydroxy-4-methylpentyl)benzamide (CID 103842950) is 3-bromo-4-chloro-N-(2-hydroxy-4-methylpentyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(2-hydroxy-4-methylpentyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(2-hydroxy-4-methylpentyl)benzamide is CC(C)CC(O)CNC(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(2-hydroxy-4-methylpentyl)benzamide?
The InChIKey is DGKZTZFGBUAWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2/c1-8(2)5-10(17)7-16-13(18)9-3-4-12(15)11(14)6-9/h3-4,6,8,10,17H,5,7H2,1-2H3,(H,16,18).
What are the key properties of 3-bromo-4-chloro-N-(2-hydroxy-4-methylpentyl)benzamide?
3-bromo-4-chloro-N-(2-hydroxy-4-methylpentyl)benzamide has a molecular weight of 334.64 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(2-hydroxy-4-methylpentyl)benzamide is sourced from PubChem (CID 103842950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).