2-(2-chloro-4-fluorophenyl)-1-[1-(oxan-2-yl)indazol-5-yl]ethanone

C20H18ClFN2O2 — CID 134960514

IUPAC2-(2-chloro-4-fluorophenyl)-1-[1-(oxan-2-yl)indazol-5-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1Cl)c1ccc2c(cnn2C2CCCCO2)c1
InChIInChI=1S/C20H18ClFN2O2/c21-17-11-16(22)6-4-13(17)10-19(25)14-5-7-18-15(9-14)12-23-24(18)20-3-1-2-8-26-20/h4-7,9,11-12,20H,1-3,8,10H2
InChIKeyKKMBYFVVUOLSTH-UHFFFAOYSA-N
MW372.83 g/mol
LogP4.95
Rot. Bonds4

About 2-(2-chloro-4-fluorophenyl)-1-[1-(oxan-2-yl)indazol-5-yl]ethanone

2-(2-chloro-4-fluorophenyl)-1-[1-(oxan-2-yl)indazol-5-yl]ethanone (PubChem CID 134960514) has the molecular formula C20H18ClFN2O2 and a molecular weight of 372.83 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-[1-(oxan-2-yl)indazol-5-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-[1-(oxan-2-yl)indazol-5-yl]ethanone
PubChem CID134960514
Molecular FormulaC20H18ClFN2O2
Molecular Weight372.83 g/mol
Exact Mass372.10
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-[1-(oxan-2-yl)indazol-5-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1Cl)c1ccc2c(cnn2C2CCCCO2)c1
InChIInChI=1S/C20H18ClFN2O2/c21-17-11-16(22)6-4-13(17)10-19(25)14-5-7-18-15(9-14)12-23-24(18)20-3-1-2-8-26-20/h4-7,9,11-12,20H,1-3,8,10H2
InChIKeyKKMBYFVVUOLSTH-UHFFFAOYSA-N
XLogP4.95
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1-methylindazole-5-carboxamide
CID 77844718
US11345702, Table 1.34
CID 156811145
1-(4-chloro-2-(trifluoromethyl)benzyl)-1H-indazole-5-carbaldehyde
CID 86654547
2-(2-Chloro-4-fluorophenyl)-1-[1-(oxan-2-yl)indazol-5-yl]butan-1-one
CID 129013598
1-(2-Fluoro-4-((1-(tetrahydro-2h-pyran-2-yl)-1h-indazol-6-yl)amino)phenyl)ethan-1-one
CID 177694294
1-(2-Fluoro-5-((1-(tetrahydro-2h-pyran-2-yl)-1h-indazol-6-yl)amino)phenyl)ethan-1-one
CID 177694295
(2,4-Difluorophenyl)-[1-(2,2,2-trifluoroethyl)indazol-5-yl]methanone
CID 9819298
(4-Fluorophenyl)-[1-(2-methylpropyl)indazol-5-yl]methanone
CID 21894743
(2,4-Difluorophenyl)-[1-(2-methylpropyl)indazol-5-yl]methanone
CID 21894747
(4-Chloro-2-fluorophenyl)-[1-(2-methylpropyl)indazol-5-yl]methanone
CID 21894773
(2,4-Difluorophenyl)-(1-prop-2-enylindazol-5-yl)methanone
CID 21894777
(2-Chloro-4-fluorophenyl)-[1-(2-methylpropyl)indazol-5-yl]methanone
CID 21894779

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-[1-(oxan-2-yl)indazol-5-yl]ethanone?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-[1-(oxan-2-yl)indazol-5-yl]ethanone (CID 134960514) is 2-(2-chloro-4-fluorophenyl)-1-[1-(oxan-2-yl)indazol-5-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-[1-(oxan-2-yl)indazol-5-yl]ethanone?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-[1-(oxan-2-yl)indazol-5-yl]ethanone is O=C(Cc1ccc(F)cc1Cl)c1ccc2c(cnn2C2CCCCO2)c1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-[1-(oxan-2-yl)indazol-5-yl]ethanone?
The InChIKey is KKMBYFVVUOLSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O2/c21-17-11-16(22)6-4-13(17)10-19(25)14-5-7-18-15(9-14)12-23-24(18)20-3-1-2-8-26-20/h4-7,9,11-12,20H,1-3,8,10H2.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-[1-(oxan-2-yl)indazol-5-yl]ethanone?
2-(2-chloro-4-fluorophenyl)-1-[1-(oxan-2-yl)indazol-5-yl]ethanone has a molecular weight of 372.83 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-[1-(oxan-2-yl)indazol-5-yl]ethanone is sourced from PubChem (CID 134960514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).