2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide

C26H12Cl10N2O6 — CID 21431939

IUPAC2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1O)c1c(O)c(Cl)cc(Cl)c1Cl.O=C(Nc1cc(Cl)cc(Cl)c1O)c1c(O)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/2C13H6Cl5NO3/c2*14-4-1-6(16)11(20)8(2-4)19-13(22)9-10(18)5(15)3-7(17)12(9)21/h2*1-3,20-21H,(H,19,22)
InChIKeyKDQSPSZZANPKJW-UHFFFAOYSA-N
MW802.92 g/mol
LogP11.23
Rot. Bonds4

About 2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide

2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide (PubChem CID 21431939) has the molecular formula C26H12Cl10N2O6 and a molecular weight of 802.92 g/mol. Its IUPAC name is 2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide.

Molecular Properties

Compound Name2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide
PubChem CID21431939
Molecular FormulaC26H12Cl10N2O6
Molecular Weight802.92 g/mol
Exact Mass797.76
IUPAC Name2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1O)c1c(O)c(Cl)cc(Cl)c1Cl.O=C(Nc1cc(Cl)cc(Cl)c1O)c1c(O)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/2C13H6Cl5NO3/c2*14-4-1-6(16)11(20)8(2-4)19-13(22)9-10(18)5(15)3-7(17)12(9)21/h2*1-3,20-21H,(H,19,22)
InChIKeyKDQSPSZZANPKJW-UHFFFAOYSA-N
XLogP11.23
TPSA139.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500802.92
LogP ≤ 511.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
CID 107675874
2,5-dichloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
CID 103891166
2,3,5-trichloro-N-(3,5-dimethylphenyl)-6-hydroxybenzamide
CID 23729699
N-(3,5-dichloro-2-hydroxyphenyl)-2-hydroxybenzamide
CID 3067488
N-(3,5-dichloro-2-hydroxyphenyl)-3,5-dimethylbenzamide
CID 107675698
2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-6-fluorobenzamide
CID 103891179
N-(3,5-dichloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
CID 103891250
N-(3,5-dichloro-2-hydroxyphenyl)-4-hydroxy-3-methylbenzamide
CID 103958263
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-N'-(3,5-dichloro-2-hydroxyphenyl)oxamide
CID 11293160
N-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 113434383
N-(3,5-dichloro-2-hydroxyphenyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 104625901
N-(3,5-dichloro-2-hydroxyphenyl)-3-methylimidazole-4-carboxamide
CID 107675810

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide?
The IUPAC name of 2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide (CID 21431939) is 2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide.
What is the SMILES notation for 2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide?
The canonical SMILES for 2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide is O=C(Nc1cc(Cl)cc(Cl)c1O)c1c(O)c(Cl)cc(Cl)c1Cl.O=C(Nc1cc(Cl)cc(Cl)c1O)c1c(O)c(Cl)cc(Cl)c1Cl.
What is the InChIKey of 2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide?
The InChIKey is KDQSPSZZANPKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H6Cl5NO3/c2*14-4-1-6(16)11(20)8(2-4)19-13(22)9-10(18)5(15)3-7(17)12(9)21/h2*1-3,20-21H,(H,19,22).
What are the key properties of 2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide?
2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide has a molecular weight of 802.92 g/mol, XLogP of 11.23, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide is sourced from PubChem (CID 21431939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).