N-(4-hydroxy-3-methoxyphenyl)-2-(trifluoromethyl)benzamide

C15H12F3NO3 — CID 71327774

IUPACN-(4-hydroxy-3-methoxyphenyl)-2-(trifluoromethyl)benzamide
SMILESCOc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1O
InChIInChI=1S/C15H12F3NO3/c1-22-13-8-9(6-7-12(13)20)19-14(21)10-4-2-3-5-11(10)15(16,17)18/h2-8,20H,1H3,(H,19,21)
InChIKeyITNBPXXRADXDBD-UHFFFAOYSA-N
MW311.26 g/mol
LogP3.67
Rot. Bonds3

About N-(4-hydroxy-3-methoxyphenyl)-2-(trifluoromethyl)benzamide

N-(4-hydroxy-3-methoxyphenyl)-2-(trifluoromethyl)benzamide (PubChem CID 71327774) has the molecular formula C15H12F3NO3 and a molecular weight of 311.26 g/mol. Its IUPAC name is N-(4-hydroxy-3-methoxyphenyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methoxyphenyl)-2-(trifluoromethyl)benzamide
PubChem CID71327774
Molecular FormulaC15H12F3NO3
Molecular Weight311.26 g/mol
Exact Mass311.08
IUPAC NameN-(4-hydroxy-3-methoxyphenyl)-2-(trifluoromethyl)benzamide
SMILESCOc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1O
InChIInChI=1S/C15H12F3NO3/c1-22-13-8-9(6-7-12(13)20)19-14(21)10-4-2-3-5-11(10)15(16,17)18/h2-8,20H,1H3,(H,19,21)
InChIKeyITNBPXXRADXDBD-UHFFFAOYSA-N
XLogP3.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methoxyphenyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-hydroxy-3-methoxyphenyl)-2-(trifluoromethyl)benzamide (CID 71327774) is N-(4-hydroxy-3-methoxyphenyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-hydroxy-3-methoxyphenyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-hydroxy-3-methoxyphenyl)-2-(trifluoromethyl)benzamide is COc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1O.
What is the InChIKey of N-(4-hydroxy-3-methoxyphenyl)-2-(trifluoromethyl)benzamide?
The InChIKey is ITNBPXXRADXDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3/c1-22-13-8-9(6-7-12(13)20)19-14(21)10-4-2-3-5-11(10)15(16,17)18/h2-8,20H,1H3,(H,19,21).
What are the key properties of N-(4-hydroxy-3-methoxyphenyl)-2-(trifluoromethyl)benzamide?
N-(4-hydroxy-3-methoxyphenyl)-2-(trifluoromethyl)benzamide has a molecular weight of 311.26 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methoxyphenyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 71327774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).