2-[2-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]-N-(4-fluorophenyl)acetamide

C23H16ClFN2O2 — CID 1290810

IUPAC2-[2-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]-N-(4-fluorophenyl)acetamide
SMILESN#C/C(=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H16ClFN2O2/c24-19-7-5-16(6-8-19)18(14-26)13-17-3-1-2-4-22(17)29-15-23(28)27-21-11-9-20(25)10-12-21/h1-13H,15H2,(H,27,28)/b18-13-
InChIKeyHOLXPYBCADVTRS-AQTBWJFISA-N
MW406.84 g/mol
LogP5.56
Rot. Bonds6

About 2-[2-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]-N-(4-fluorophenyl)acetamide

2-[2-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]-N-(4-fluorophenyl)acetamide (PubChem CID 1290810) has the molecular formula C23H16ClFN2O2 and a molecular weight of 406.84 g/mol. Its IUPAC name is 2-[2-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]-N-(4-fluorophenyl)acetamide
PubChem CID1290810
Molecular FormulaC23H16ClFN2O2
Molecular Weight406.84 g/mol
Exact Mass406.09
IUPAC Name2-[2-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]-N-(4-fluorophenyl)acetamide
SMILESN#C/C(=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H16ClFN2O2/c24-19-7-5-16(6-8-19)18(14-26)13-17-3-1-2-4-22(17)29-15-23(28)27-21-11-9-20(25)10-12-21/h1-13H,15H2,(H,27,28)/b18-13-
InChIKeyHOLXPYBCADVTRS-AQTBWJFISA-N
XLogP5.56
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.84
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]-N-(4-fluorophenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-[(Z)-2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 1290809
4-[1-cyano-2-[2-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]ethenyl]benzoic acid
CID 3905036
N-(4-chlorophenyl)-2-[2-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]acetamide
CID 126277370
2-[2-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 21375431
(E)-2-cyano-N-(4-fluorophenyl)-3-[2-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]prop-2-enamide
CID 6089228
2-(4-chlorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile
CID 2952464
(Z)-3-[5-chloro-2-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 124548313
2-[2-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 21375434
2-[2-bromo-4-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 126396068
(E)-2-(4-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 126366484
2-[2-chloro-4-[(E)-2-cyano-2-(3-nitrophenyl)ethenyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 124549917
2-[2-bromo-4-[(E)-2-cyano-2-(4-nitrophenyl)ethenyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 2201325

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]-N-(4-fluorophenyl)acetamide (CID 1290810) is 2-[2-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]-N-(4-fluorophenyl)acetamide is N#C/C(=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]-N-(4-fluorophenyl)acetamide?
The InChIKey is HOLXPYBCADVTRS-AQTBWJFISA-N. The full InChI is InChI=1S/C23H16ClFN2O2/c24-19-7-5-16(6-8-19)18(14-26)13-17-3-1-2-4-22(17)29-15-23(28)27-21-11-9-20(25)10-12-21/h1-13H,15H2,(H,27,28)/b18-13-.
What are the key properties of 2-[2-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]-N-(4-fluorophenyl)acetamide?
2-[2-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]-N-(4-fluorophenyl)acetamide has a molecular weight of 406.84 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 1290810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).