2-(4-fluorophenyl)-N-[[2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]acetamide

C29H24FNO2 — CID 86293453

IUPAC2-(4-fluorophenyl)-N-[[2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCc1ccccc1-c1ccccc1/C=C/c1ccc(O)cc1
InChIInChI=1S/C29H24FNO2/c30-25-15-10-22(11-16-25)19-29(33)31-20-24-6-2-4-8-28(24)27-7-3-1-5-23(27)14-9-21-12-17-26(32)18-13-21/h1-18,32H,19-20H2,(H,31,33)/b14-9+
InChIKeyIHOCOIRXKBBBBU-NTEUORMPSA-N
MW437.51 g/mol
LogP6.23
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[[2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]acetamide

2-(4-fluorophenyl)-N-[[2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]acetamide (PubChem CID 86293453) has the molecular formula C29H24FNO2 and a molecular weight of 437.51 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[[2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[[2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]acetamide
PubChem CID86293453
Molecular FormulaC29H24FNO2
Molecular Weight437.51 g/mol
Exact Mass437.18
IUPAC Name2-(4-fluorophenyl)-N-[[2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCc1ccccc1-c1ccccc1/C=C/c1ccc(O)cc1
InChIInChI=1S/C29H24FNO2/c30-25-15-10-22(11-16-25)19-29(33)31-20-24-6-2-4-8-28(24)27-7-3-1-5-23(27)14-9-21-12-17-26(32)18-13-21/h1-18,32H,19-20H2,(H,31,33)/b14-9+
InChIKeyIHOCOIRXKBBBBU-NTEUORMPSA-N
XLogP6.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.51
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)-N-[[2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]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-(4-fluorophenyl)-N-[[2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[[2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]acetamide (CID 86293453) is 2-(4-fluorophenyl)-N-[[2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[[2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[[2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]acetamide is O=C(Cc1ccc(F)cc1)NCc1ccccc1-c1ccccc1/C=C/c1ccc(O)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[[2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]acetamide?
The InChIKey is IHOCOIRXKBBBBU-NTEUORMPSA-N. The full InChI is InChI=1S/C29H24FNO2/c30-25-15-10-22(11-16-25)19-29(33)31-20-24-6-2-4-8-28(24)27-7-3-1-5-23(27)14-9-21-12-17-26(32)18-13-21/h1-18,32H,19-20H2,(H,31,33)/b14-9+.
What are the key properties of 2-(4-fluorophenyl)-N-[[2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]acetamide?
2-(4-fluorophenyl)-N-[[2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]acetamide has a molecular weight of 437.51 g/mol, XLogP of 6.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[[2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]acetamide is sourced from PubChem (CID 86293453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).