3,4-dichloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide

C12H15Cl2NO3 — CID 90500989

IUPAC3,4-dichloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
SMILESCOCC(C)(O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO3/c1-12(17,7-18-2)6-15-11(16)8-3-4-9(13)10(14)5-8/h3-5,17H,6-7H2,1-2H3,(H,15,16)
InChIKeyJNDGOSDVWQNCLQ-UHFFFAOYSA-N
MW292.16 g/mol
LogP2.12
Rot. Bonds5

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

3,4-dichloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide (PubChem CID 90500989) has the molecular formula C12H15Cl2NO3 and a molecular weight of 292.16 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
PubChem CID90500989
Molecular FormulaC12H15Cl2NO3
Molecular Weight292.16 g/mol
Exact Mass291.04
IUPAC Name3,4-dichloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
SMILESCOCC(C)(O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO3/c1-12(17,7-18-2)6-15-11(16)8-3-4-9(13)10(14)5-8/h3-5,17H,6-7H2,1-2H3,(H,15,16)
InChIKeyJNDGOSDVWQNCLQ-UHFFFAOYSA-N
XLogP2.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240344
N-(2-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 81483692
3-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 90500919
3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111944
ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 5039478
4-cyano-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 90500924
4-chloro-N-(2-hydroxy-2-methylpentyl)-3-methylbenzamide
CID 103760453
N-(2-hydroxy-3-methoxy-2-methylpropyl)-3-methyl-4-nitrobenzamide
CID 90500968
2-(2-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide
CID 90500955
4-amino-3-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66185809
3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452323
4-(diethylsulfamoyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 56724224

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide (CID 90500989) is 3,4-dichloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide is COCC(C)(O)CNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide?
The InChIKey is JNDGOSDVWQNCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO3/c1-12(17,7-18-2)6-15-11(16)8-3-4-9(13)10(14)5-8/h3-5,17H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 3,4-dichloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide?
3,4-dichloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide has a molecular weight of 292.16 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide is sourced from PubChem (CID 90500989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).