3,4-dichloro-N-(2-hydroxyethyl)benzamide

C9H9Cl2NO2 — CID 2249234

IUPAC3,4-dichloro-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H9Cl2NO2/c10-7-2-1-6(5-8(7)11)9(14)12-3-4-13/h1-2,5,13H,3-4H2,(H,12,14)
InChIKeyUWIALBUXJZFVBS-UHFFFAOYSA-N
MW234.08 g/mol
LogP1.72
Rot. Bonds3

About 3,4-dichloro-N-(2-hydroxyethyl)benzamide

3,4-dichloro-N-(2-hydroxyethyl)benzamide (PubChem CID 2249234) has the molecular formula C9H9Cl2NO2 and a molecular weight of 234.08 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-hydroxyethyl)benzamide
PubChem CID2249234
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC Name3,4-dichloro-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H9Cl2NO2/c10-7-2-1-6(5-8(7)11)9(14)12-3-4-13/h1-2,5,13H,3-4H2,(H,12,14)
InChIKeyUWIALBUXJZFVBS-UHFFFAOYSA-N
XLogP1.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(2-hydroxyethyl)benzamide (CID 2249234) is 3,4-dichloro-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(2-hydroxyethyl)benzamide is O=C(NCCO)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(2-hydroxyethyl)benzamide?
The InChIKey is UWIALBUXJZFVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2/c10-7-2-1-6(5-8(7)11)9(14)12-3-4-13/h1-2,5,13H,3-4H2,(H,12,14).
What are the key properties of 3,4-dichloro-N-(2-hydroxyethyl)benzamide?
3,4-dichloro-N-(2-hydroxyethyl)benzamide has a molecular weight of 234.08 g/mol, XLogP of 1.72, 3 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-hydroxyethyl)benzamide is sourced from PubChem (CID 2249234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).