N-(4-hydroxy-3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide

C17H16F3NO3 — CID 71327773

IUPACN-(4-hydroxy-3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide
SMILESCC(C)Oc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1O
InChIInChI=1S/C17H16F3NO3/c1-10(2)24-15-9-11(7-8-14(15)22)21-16(23)12-5-3-4-6-13(12)17(18,19)20/h3-10,22H,1-2H3,(H,21,23)
InChIKeyMZWZZJVZOQEANE-UHFFFAOYSA-N
MW339.31 g/mol
LogP4.45
Rot. Bonds4

About N-(4-hydroxy-3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide

N-(4-hydroxy-3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide (PubChem CID 71327773) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is N-(4-hydroxy-3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide
PubChem CID71327773
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC NameN-(4-hydroxy-3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide
SMILESCC(C)Oc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1O
InChIInChI=1S/C17H16F3NO3/c1-10(2)24-15-9-11(7-8-14(15)22)21-16(23)12-5-3-4-6-13(12)17(18,19)20/h3-10,22H,1-2H3,(H,21,23)
InChIKeyMZWZZJVZOQEANE-UHFFFAOYSA-N
XLogP4.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-hydroxy-3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-hydroxy-3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide (CID 71327773) is N-(4-hydroxy-3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-hydroxy-3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-hydroxy-3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide is CC(C)Oc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1O.
What is the InChIKey of N-(4-hydroxy-3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide?
The InChIKey is MZWZZJVZOQEANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3/c1-10(2)24-15-9-11(7-8-14(15)22)21-16(23)12-5-3-4-6-13(12)17(18,19)20/h3-10,22H,1-2H3,(H,21,23).
What are the key properties of N-(4-hydroxy-3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide?
N-(4-hydroxy-3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide has a molecular weight of 339.31 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 71327773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).