3,5-dichloro-N-(4-hydroxy-2-methylbutyl)benzamide

C12H15Cl2NO2 — CID 66106434

IUPAC3,5-dichloro-N-(4-hydroxy-2-methylbutyl)benzamide
SMILESCC(CCO)CNC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-8(2-3-16)7-15-12(17)9-4-10(13)6-11(14)5-9/h4-6,8,16H,2-3,7H2,1H3,(H,15,17)
InChIKeyZGSTYRZFYAPVQZ-UHFFFAOYSA-N
MW276.16 g/mol
LogP2.74
Rot. Bonds5

About 3,5-dichloro-N-(4-hydroxy-2-methylbutyl)benzamide

3,5-dichloro-N-(4-hydroxy-2-methylbutyl)benzamide (PubChem CID 66106434) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 3,5-dichloro-N-(4-hydroxy-2-methylbutyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(4-hydroxy-2-methylbutyl)benzamide
PubChem CID66106434
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name3,5-dichloro-N-(4-hydroxy-2-methylbutyl)benzamide
SMILESCC(CCO)CNC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-8(2-3-16)7-15-12(17)9-4-10(13)6-11(14)5-9/h4-6,8,16H,2-3,7H2,1H3,(H,15,17)
InChIKeyZGSTYRZFYAPVQZ-UHFFFAOYSA-N
XLogP2.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106185
N-(3-amino-2-methylpropyl)-3,5-dichlorobenzamide;hydrochloride
CID 119996487
4-chloro-3-fluoro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 103876642
5-[(3-bromo-5-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 107938301
N-(3-aminobutyl)-3,5-dichlorobenzamide
CID 63253948
3,5-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254978
3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103770831
2-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
CID 106502483
2-amino-5-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66091263
2-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66108567
3,5-dichloro-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120654646
N-(4-bromo-2-methylbutyl)-3-chloro-5-nitrobenzamide
CID 113276170

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(4-hydroxy-2-methylbutyl)benzamide?
The IUPAC name of 3,5-dichloro-N-(4-hydroxy-2-methylbutyl)benzamide (CID 66106434) is 3,5-dichloro-N-(4-hydroxy-2-methylbutyl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(4-hydroxy-2-methylbutyl)benzamide?
The canonical SMILES for 3,5-dichloro-N-(4-hydroxy-2-methylbutyl)benzamide is CC(CCO)CNC(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(4-hydroxy-2-methylbutyl)benzamide?
The InChIKey is ZGSTYRZFYAPVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-8(2-3-16)7-15-12(17)9-4-10(13)6-11(14)5-9/h4-6,8,16H,2-3,7H2,1H3,(H,15,17).
What are the key properties of 3,5-dichloro-N-(4-hydroxy-2-methylbutyl)benzamide?
3,5-dichloro-N-(4-hydroxy-2-methylbutyl)benzamide has a molecular weight of 276.16 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(4-hydroxy-2-methylbutyl)benzamide is sourced from PubChem (CID 66106434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).