2-hydroxy-N-(2,4,5-trichlorophenyl)benzamide

C13H8Cl3NO2 — CID 3440374

IUPAC2-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1O
InChIInChI=1S/C13H8Cl3NO2/c14-8-5-10(16)11(6-9(8)15)17-13(19)7-3-1-2-4-12(7)18/h1-6,18H,(H,17,19)
InChIKeyBGEMAKTZPJNUSX-UHFFFAOYSA-N
MW316.57 g/mol
LogP4.60
Rot. Bonds2

About 2-hydroxy-N-(2,4,5-trichlorophenyl)benzamide

2-hydroxy-N-(2,4,5-trichlorophenyl)benzamide (PubChem CID 3440374) has the molecular formula C13H8Cl3NO2 and a molecular weight of 316.57 g/mol. Its IUPAC name is 2-hydroxy-N-(2,4,5-trichlorophenyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
PubChem CID3440374
Molecular FormulaC13H8Cl3NO2
Molecular Weight316.57 g/mol
Exact Mass314.96
IUPAC Name2-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1O
InChIInChI=1S/C13H8Cl3NO2/c14-8-5-10(16)11(6-9(8)15)17-13(19)7-3-1-2-4-12(7)18/h1-6,18H,(H,17,19)
InChIKeyBGEMAKTZPJNUSX-UHFFFAOYSA-N
XLogP4.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.57
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2,4,5-trichlorophenyl)benzamide?
The IUPAC name of 2-hydroxy-N-(2,4,5-trichlorophenyl)benzamide (CID 3440374) is 2-hydroxy-N-(2,4,5-trichlorophenyl)benzamide.
What is the SMILES notation for 2-hydroxy-N-(2,4,5-trichlorophenyl)benzamide?
The canonical SMILES for 2-hydroxy-N-(2,4,5-trichlorophenyl)benzamide is O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-(2,4,5-trichlorophenyl)benzamide?
The InChIKey is BGEMAKTZPJNUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3NO2/c14-8-5-10(16)11(6-9(8)15)17-13(19)7-3-1-2-4-12(7)18/h1-6,18H,(H,17,19).
What are the key properties of 2-hydroxy-N-(2,4,5-trichlorophenyl)benzamide?
2-hydroxy-N-(2,4,5-trichlorophenyl)benzamide has a molecular weight of 316.57 g/mol, XLogP of 4.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2,4,5-trichlorophenyl)benzamide is sourced from PubChem (CID 3440374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).