3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide

C13H17Cl2NO2 — CID 113240344

IUPAC3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide
SMILESCCCC(C)(O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO2/c1-3-6-13(2,18)8-16-12(17)9-4-5-10(14)11(15)7-9/h4-5,7,18H,3,6,8H2,1-2H3,(H,16,17)
InChIKeyZWJMLNYLNUJAQW-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.27
Rot. Bonds5

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

3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide (PubChem CID 113240344) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide
PubChem CID113240344
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide
SMILESCCCC(C)(O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO2/c1-3-6-13(2,18)8-16-12(17)9-4-5-10(14)11(15)7-9/h4-5,7,18H,3,6,8H2,1-2H3,(H,16,17)
InChIKeyZWJMLNYLNUJAQW-UHFFFAOYSA-N
XLogP3.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(2-hydroxy-2-methylpentyl)-3-methylbenzamide
CID 103760453
3,4-dichloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 90500989
N-(2-hydroxy-2-methylpentyl)quinoxaline-6-carboxamide
CID 103713237
N-(2-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 81483692
3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylbenzamide
CID 106289291
4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240357
3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111944
3-amino-4-bromo-N-(2-hydroxy-2-methylpentyl)benzamide
CID 106289346
3-bromo-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzamide
CID 103713122
N-(2-hydroxy-2-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 106292129
ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 5039478
4-amino-3-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66185809

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide (CID 113240344) is 3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide is CCCC(C)(O)CNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide?
The InChIKey is ZWJMLNYLNUJAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-3-6-13(2,18)8-16-12(17)9-4-5-10(14)11(15)7-9/h4-5,7,18H,3,6,8H2,1-2H3,(H,16,17).
What are the key properties of 3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide?
3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide has a molecular weight of 290.19 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide is sourced from PubChem (CID 113240344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).