2,4-dichloro-N-(5-chloro-2-ethoxyphenyl)benzamide

C15H12Cl3NO2 — CID 4779142

IUPAC2,4-dichloro-N-(5-chloro-2-ethoxyphenyl)benzamide
SMILESCCOc1ccc(Cl)cc1NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl3NO2/c1-2-21-14-6-4-10(17)8-13(14)19-15(20)11-5-3-9(16)7-12(11)18/h3-8H,2H2,1H3,(H,19,20)
InChIKeyKOUDSIBDKSIETG-UHFFFAOYSA-N
MW344.63 g/mol
LogP5.30
Rot. Bonds4

About 2,4-dichloro-N-(5-chloro-2-ethoxyphenyl)benzamide

2,4-dichloro-N-(5-chloro-2-ethoxyphenyl)benzamide (PubChem CID 4779142) has the molecular formula C15H12Cl3NO2 and a molecular weight of 344.63 g/mol. Its IUPAC name is 2,4-dichloro-N-(5-chloro-2-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(5-chloro-2-ethoxyphenyl)benzamide
PubChem CID4779142
Molecular FormulaC15H12Cl3NO2
Molecular Weight344.63 g/mol
Exact Mass342.99
IUPAC Name2,4-dichloro-N-(5-chloro-2-ethoxyphenyl)benzamide
SMILESCCOc1ccc(Cl)cc1NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl3NO2/c1-2-21-14-6-4-10(17)8-13(14)19-15(20)11-5-3-9(16)7-12(11)18/h3-8H,2H2,1H3,(H,19,20)
InChIKeyKOUDSIBDKSIETG-UHFFFAOYSA-N
XLogP5.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.63
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(5-chloro-2-ethoxyphenyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(5-chloro-2-ethoxyphenyl)benzamide (CID 4779142) is 2,4-dichloro-N-(5-chloro-2-ethoxyphenyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(5-chloro-2-ethoxyphenyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(5-chloro-2-ethoxyphenyl)benzamide is CCOc1ccc(Cl)cc1NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(5-chloro-2-ethoxyphenyl)benzamide?
The InChIKey is KOUDSIBDKSIETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NO2/c1-2-21-14-6-4-10(17)8-13(14)19-15(20)11-5-3-9(16)7-12(11)18/h3-8H,2H2,1H3,(H,19,20).
What are the key properties of 2,4-dichloro-N-(5-chloro-2-ethoxyphenyl)benzamide?
2,4-dichloro-N-(5-chloro-2-ethoxyphenyl)benzamide has a molecular weight of 344.63 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(5-chloro-2-ethoxyphenyl)benzamide is sourced from PubChem (CID 4779142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).