5-[(E)-2-(2-chloro-4-fluorophenyl)-1-phenylbut-1-enyl]-1H-indazole

C23H18ClFN2 — CID 141327680

IUPAC5-[(E)-2-(2-chloro-4-fluorophenyl)-1-phenylbut-1-enyl]-1H-indazole
SMILESCC/C(=C(/c1ccccc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
InChIInChI=1S/C23H18ClFN2/c1-2-19(20-10-9-18(25)13-21(20)24)23(15-6-4-3-5-7-15)16-8-11-22-17(12-16)14-26-27-22/h3-14H,2H2,1H3,(H,26,27)/b23-19+
InChIKeyXWFFSEVCKYPZHU-FCDQGJHFSA-N
MW376.86 g/mol
LogP6.72
Rot. Bonds4

About 5-[(E)-2-(2-chloro-4-fluorophenyl)-1-phenylbut-1-enyl]-1H-indazole

5-[(E)-2-(2-chloro-4-fluorophenyl)-1-phenylbut-1-enyl]-1H-indazole (PubChem CID 141327680) has the molecular formula C23H18ClFN2 and a molecular weight of 376.86 g/mol. Its IUPAC name is 5-[(E)-2-(2-chloro-4-fluorophenyl)-1-phenylbut-1-enyl]-1H-indazole.

Molecular Properties

Compound Name5-[(E)-2-(2-chloro-4-fluorophenyl)-1-phenylbut-1-enyl]-1H-indazole
PubChem CID141327680
Molecular FormulaC23H18ClFN2
Molecular Weight376.86 g/mol
Exact Mass376.11
IUPAC Name5-[(E)-2-(2-chloro-4-fluorophenyl)-1-phenylbut-1-enyl]-1H-indazole
SMILESCC/C(=C(/c1ccccc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
InChIInChI=1S/C23H18ClFN2/c1-2-19(20-10-9-18(25)13-21(20)24)23(15-6-4-3-5-7-15)16-8-11-22-17(12-16)14-26-27-22/h3-14H,2H2,1H3,(H,26,27)/b23-19+
InChIKeyXWFFSEVCKYPZHU-FCDQGJHFSA-N
XLogP6.72
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.86
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Brilanestrant
CID 56941241
(E)-3-(4-((E)-2-(2-chlorophenyl)-1-(1H-indazol-5-yl)but-1-en-1-yl)phenyl)acrylic acid
CID 56940798
(E)-3-[4-[(E)-1-(4-chloro-1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
CID 56942391
MAO-B Inhibitor 58
CID 77844723
N-(4-chloro-3-fluorophenyl)-1-(1H-indazol-5-yl)methanimine
CID 77844769
N-(3-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)methanimine
CID 77844770
4-Chloro-1H-indazole
CID 393037
6-(3-chlorophenyl)-4-(1H-indazol-5-yl)pyrimidin-2(1H)-one
CID 24759582
(E)-3-[4-[(E)-1-(6-chloro-1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
CID 56942250
5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645447
5-(2-ethylphenyl)-1H-indazole
CID 90645444
5-(2-propan-2-ylphenyl)-1H-indazole
CID 90645445

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(2-chloro-4-fluorophenyl)-1-phenylbut-1-enyl]-1H-indazole?
The IUPAC name of 5-[(E)-2-(2-chloro-4-fluorophenyl)-1-phenylbut-1-enyl]-1H-indazole (CID 141327680) is 5-[(E)-2-(2-chloro-4-fluorophenyl)-1-phenylbut-1-enyl]-1H-indazole.
What is the SMILES notation for 5-[(E)-2-(2-chloro-4-fluorophenyl)-1-phenylbut-1-enyl]-1H-indazole?
The canonical SMILES for 5-[(E)-2-(2-chloro-4-fluorophenyl)-1-phenylbut-1-enyl]-1H-indazole is CC/C(=C(/c1ccccc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl.
What is the InChIKey of 5-[(E)-2-(2-chloro-4-fluorophenyl)-1-phenylbut-1-enyl]-1H-indazole?
The InChIKey is XWFFSEVCKYPZHU-FCDQGJHFSA-N. The full InChI is InChI=1S/C23H18ClFN2/c1-2-19(20-10-9-18(25)13-21(20)24)23(15-6-4-3-5-7-15)16-8-11-22-17(12-16)14-26-27-22/h3-14H,2H2,1H3,(H,26,27)/b23-19+.
What are the key properties of 5-[(E)-2-(2-chloro-4-fluorophenyl)-1-phenylbut-1-enyl]-1H-indazole?
5-[(E)-2-(2-chloro-4-fluorophenyl)-1-phenylbut-1-enyl]-1H-indazole has a molecular weight of 376.86 g/mol, XLogP of 6.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(2-chloro-4-fluorophenyl)-1-phenylbut-1-enyl]-1H-indazole is sourced from PubChem (CID 141327680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).