4-hydroxybenzamide;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine

C18H12Cl6N4O2 — CID 87919709

IUPAC4-hydroxybenzamide;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine
SMILESClC(Cl)(Cl)c1nc(-c2ccccc2)nc(C(Cl)(Cl)Cl)n1.NC(=O)c1ccc(O)cc1
InChIInChI=1S/C11H5Cl6N3.C7H7NO2/c12-10(13,14)8-18-7(6-4-2-1-3-5-6)19-9(20-8)11(15,16)17;8-7(10)5-1-3-6(9)4-2-5/h1-5H;1-4,9H,(H2,8,10)
InChIKeyCDEGQFIMJMCXLZ-UHFFFAOYSA-N
MW529.04 g/mol
LogP5.68
Rot. Bonds2

About 4-hydroxybenzamide;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine

4-hydroxybenzamide;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine (PubChem CID 87919709) has the molecular formula C18H12Cl6N4O2 and a molecular weight of 529.04 g/mol. Its IUPAC name is 4-hydroxybenzamide;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name4-hydroxybenzamide;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine
PubChem CID87919709
Molecular FormulaC18H12Cl6N4O2
Molecular Weight529.04 g/mol
Exact Mass525.91
IUPAC Name4-hydroxybenzamide;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine
SMILESClC(Cl)(Cl)c1nc(-c2ccccc2)nc(C(Cl)(Cl)Cl)n1.NC(=O)c1ccc(O)cc1
InChIInChI=1S/C11H5Cl6N3.C7H7NO2/c12-10(13,14)8-18-7(6-4-2-1-3-5-6)19-9(20-8)11(15,16)17;8-7(10)5-1-3-6(9)4-2-5/h1-5H;1-4,9H,(H2,8,10)
InChIKeyCDEGQFIMJMCXLZ-UHFFFAOYSA-N
XLogP5.68
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.04
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxybenzamide;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine?
The IUPAC name of 4-hydroxybenzamide;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine (CID 87919709) is 4-hydroxybenzamide;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine.
What is the SMILES notation for 4-hydroxybenzamide;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine?
The canonical SMILES for 4-hydroxybenzamide;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine is ClC(Cl)(Cl)c1nc(-c2ccccc2)nc(C(Cl)(Cl)Cl)n1.NC(=O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxybenzamide;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine?
The InChIKey is CDEGQFIMJMCXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl6N3.C7H7NO2/c12-10(13,14)8-18-7(6-4-2-1-3-5-6)19-9(20-8)11(15,16)17;8-7(10)5-1-3-6(9)4-2-5/h1-5H;1-4,9H,(H2,8,10).
What are the key properties of 4-hydroxybenzamide;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine?
4-hydroxybenzamide;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine has a molecular weight of 529.04 g/mol, XLogP of 5.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybenzamide;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine is sourced from PubChem (CID 87919709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).