2,2,2-trifluoro-N-[2-[3-hydroxy-3-(4-methylphenyl)prop-1-ynyl]phenyl]acetamide

C18H14F3NO2 — CID 11002112

IUPAC2,2,2-trifluoro-N-[2-[3-hydroxy-3-(4-methylphenyl)prop-1-ynyl]phenyl]acetamide
SMILESCc1ccc(C(O)C#Cc2ccccc2NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C18H14F3NO2/c1-12-6-8-14(9-7-12)16(23)11-10-13-4-2-3-5-15(13)22-17(24)18(19,20)21/h2-9,16,23H,1H3,(H,22,24)
InChIKeyFMDXBSKCXPLTSD-UHFFFAOYSA-N
MW333.31 g/mol
LogP3.58
Rot. Bonds2

About 2,2,2-trifluoro-N-[2-[3-hydroxy-3-(4-methylphenyl)prop-1-ynyl]phenyl]acetamide

2,2,2-trifluoro-N-[2-[3-hydroxy-3-(4-methylphenyl)prop-1-ynyl]phenyl]acetamide (PubChem CID 11002112) has the molecular formula C18H14F3NO2 and a molecular weight of 333.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[3-hydroxy-3-(4-methylphenyl)prop-1-ynyl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[3-hydroxy-3-(4-methylphenyl)prop-1-ynyl]phenyl]acetamide
PubChem CID11002112
Molecular FormulaC18H14F3NO2
Molecular Weight333.31 g/mol
Exact Mass333.10
IUPAC Name2,2,2-trifluoro-N-[2-[3-hydroxy-3-(4-methylphenyl)prop-1-ynyl]phenyl]acetamide
SMILESCc1ccc(C(O)C#Cc2ccccc2NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C18H14F3NO2/c1-12-6-8-14(9-7-12)16(23)11-10-13-4-2-3-5-15(13)22-17(24)18(19,20)21/h2-9,16,23H,1H3,(H,22,24)
InChIKeyFMDXBSKCXPLTSD-UHFFFAOYSA-N
XLogP3.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-[2-[3-hydroxy-3-(4-methylphenyl)prop-1-ynyl]phenyl]acetamide 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 2,2,2-trifluoro-N-[2-[3-hydroxy-3-(4-methylphenyl)prop-1-ynyl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[3-hydroxy-3-(4-methylphenyl)prop-1-ynyl]phenyl]acetamide (CID 11002112) is 2,2,2-trifluoro-N-[2-[3-hydroxy-3-(4-methylphenyl)prop-1-ynyl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[3-hydroxy-3-(4-methylphenyl)prop-1-ynyl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[3-hydroxy-3-(4-methylphenyl)prop-1-ynyl]phenyl]acetamide is Cc1ccc(C(O)C#Cc2ccccc2NC(=O)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[3-hydroxy-3-(4-methylphenyl)prop-1-ynyl]phenyl]acetamide?
The InChIKey is FMDXBSKCXPLTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO2/c1-12-6-8-14(9-7-12)16(23)11-10-13-4-2-3-5-15(13)22-17(24)18(19,20)21/h2-9,16,23H,1H3,(H,22,24).
What are the key properties of 2,2,2-trifluoro-N-[2-[3-hydroxy-3-(4-methylphenyl)prop-1-ynyl]phenyl]acetamide?
2,2,2-trifluoro-N-[2-[3-hydroxy-3-(4-methylphenyl)prop-1-ynyl]phenyl]acetamide has a molecular weight of 333.31 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[3-hydroxy-3-(4-methylphenyl)prop-1-ynyl]phenyl]acetamide is sourced from PubChem (CID 11002112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).