3,5-dichloro-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)benzamide

C15H11Cl4NO2 — CID 71362833

IUPAC3,5-dichloro-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)benzamide
SMILESCCc1c(Cl)cc(NC(=O)c2cc(Cl)cc(Cl)c2)c(O)c1Cl
InChIInChI=1S/C15H11Cl4NO2/c1-2-10-11(18)6-12(14(21)13(10)19)20-15(22)7-3-8(16)5-9(17)4-7/h3-6,21H,2H2,1H3,(H,20,22)
InChIKeyUHUOFJUUOZIAFF-UHFFFAOYSA-N
MW379.07 g/mol
LogP5.82
Rot. Bonds3

About 3,5-dichloro-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)benzamide

3,5-dichloro-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)benzamide (PubChem CID 71362833) has the molecular formula C15H11Cl4NO2 and a molecular weight of 379.07 g/mol. Its IUPAC name is 3,5-dichloro-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)benzamide
PubChem CID71362833
Molecular FormulaC15H11Cl4NO2
Molecular Weight379.07 g/mol
Exact Mass376.95
IUPAC Name3,5-dichloro-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)benzamide
SMILESCCc1c(Cl)cc(NC(=O)c2cc(Cl)cc(Cl)c2)c(O)c1Cl
InChIInChI=1S/C15H11Cl4NO2/c1-2-10-11(18)6-12(14(21)13(10)19)20-15(22)7-3-8(16)5-9(17)4-7/h3-6,21H,2H2,1H3,(H,20,22)
InChIKeyUHUOFJUUOZIAFF-UHFFFAOYSA-N
XLogP5.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.07
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-N-(2,4,5-trichlorophenyl)benzamide
CID 17133480
N-(3,5-dichloro-2-hydroxyphenyl)-3,5-dimethylbenzamide
CID 107675698
3,5-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 64788114
3,5-dichloro-N-(3-hydroxy-2-methylphenyl)benzamide
CID 64793609
4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
CID 107675874
3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 43601335
3,5-dichloro-N-[2-(ethylcarbamoyl)phenyl]benzamide
CID 17133523
3,5-dichloro-N-(2-ethoxyphenyl)benzamide
CID 2442507
6-amino-2,4-dichloro-3-ethylphenol
CID 11769652
4-[(3,5-dichlorobenzoyl)amino]-3-hydroxybenzoic acid;ethane
CID 153343129
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)propanamide
CID 59817322
2-(2,4-ditert-butylphenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butanamide
CID 101164913

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)benzamide?
The IUPAC name of 3,5-dichloro-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)benzamide (CID 71362833) is 3,5-dichloro-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)benzamide?
The canonical SMILES for 3,5-dichloro-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)benzamide is CCc1c(Cl)cc(NC(=O)c2cc(Cl)cc(Cl)c2)c(O)c1Cl.
What is the InChIKey of 3,5-dichloro-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)benzamide?
The InChIKey is UHUOFJUUOZIAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl4NO2/c1-2-10-11(18)6-12(14(21)13(10)19)20-15(22)7-3-8(16)5-9(17)4-7/h3-6,21H,2H2,1H3,(H,20,22).
What are the key properties of 3,5-dichloro-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)benzamide?
3,5-dichloro-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)benzamide has a molecular weight of 379.07 g/mol, XLogP of 5.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)benzamide is sourced from PubChem (CID 71362833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).