3-chloro-N-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzamide

C15H13Cl2NO3 — CID 888384

IUPAC3-chloro-N-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cc(Cl)ccc2O)cc1Cl
InChIInChI=1S/C15H13Cl2NO3/c1-2-21-14-6-3-9(7-11(14)17)15(20)18-12-8-10(16)4-5-13(12)19/h3-8,19H,2H2,1H3,(H,18,20)
InChIKeyCEQCWERPKZLVML-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.35
Rot. Bonds4

About 3-chloro-N-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzamide

3-chloro-N-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzamide (PubChem CID 888384) has the molecular formula C15H13Cl2NO3 and a molecular weight of 326.18 g/mol. Its IUPAC name is 3-chloro-N-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzamide
PubChem CID888384
Molecular FormulaC15H13Cl2NO3
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name3-chloro-N-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cc(Cl)ccc2O)cc1Cl
InChIInChI=1S/C15H13Cl2NO3/c1-2-21-14-6-3-9(7-11(14)17)15(20)18-12-8-10(16)4-5-13(12)19/h3-8,19H,2H2,1H3,(H,18,20)
InChIKeyCEQCWERPKZLVML-UHFFFAOYSA-N
XLogP4.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzamide?
The IUPAC name of 3-chloro-N-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzamide (CID 888384) is 3-chloro-N-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzamide.
What is the SMILES notation for 3-chloro-N-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzamide?
The canonical SMILES for 3-chloro-N-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2cc(Cl)ccc2O)cc1Cl.
What is the InChIKey of 3-chloro-N-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzamide?
The InChIKey is CEQCWERPKZLVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3/c1-2-21-14-6-3-9(7-11(14)17)15(20)18-12-8-10(16)4-5-13(12)19/h3-8,19H,2H2,1H3,(H,18,20).
What are the key properties of 3-chloro-N-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzamide?
3-chloro-N-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzamide has a molecular weight of 326.18 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzamide is sourced from PubChem (CID 888384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).