1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone

C21H14ClFN2O2 — CID 153447161

IUPAC1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone
SMILESO=C(CO)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C21H14ClFN2O2/c22-18-4-2-1-3-16(18)21-17-10-5-13(20(27)12-26)11-19(17)25(24-21)15-8-6-14(23)7-9-15/h1-11,26H,12H2
InChIKeyKISISBCQTGBMGJ-UHFFFAOYSA-N
MW380.81 g/mol
LogP4.66
Rot. Bonds4

About 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone

1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone (PubChem CID 153447161) has the molecular formula C21H14ClFN2O2 and a molecular weight of 380.81 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone
PubChem CID153447161
Molecular FormulaC21H14ClFN2O2
Molecular Weight380.81 g/mol
Exact Mass380.07
IUPAC Name1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone
SMILESO=C(CO)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C21H14ClFN2O2/c22-18-4-2-1-3-16(18)21-17-10-5-13(20(27)12-26)11-19(17)25(24-21)15-8-6-14(23)7-9-15/h1-11,26H,12H2
InChIKeyKISISBCQTGBMGJ-UHFFFAOYSA-N
XLogP4.66
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-(oxetan-3-yl)ethanone
CID 147890998
1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-3-cyclopropyl-4-hydroxybutan-1-one
CID 146976002
1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-[(1R,2R)-2-hydroxycyclopentyl]ethanone
CID 159605487
(3S,4R)-1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-4-hydroxy-3-(hydroxymethyl)-4-phenylbutan-1-one
CID 160646321
3-(2-chlorophenyl)-N-(1-cyanocyclopropyl)-1-(4-fluorophenyl)indazole-6-carboxamide
CID 134522594
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(oxetan-3-yl)indazole-6-carboxamide
CID 134522059
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)indazole-6-carboxamide
CID 134522042
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1S,2R)-2-hydroxycyclopentyl]indazole-6-carboxamide
CID 146220196
N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(2-chlorophenyl)-1-(4-fluorophenyl)indazole-6-carboxamide
CID 134522119
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(4-hydroxy-1,1-dioxothiolan-3-yl)indazole-6-carboxamide
CID 134522049
4-chloro-3-[1-(4-fluorophenyl)-6-[2-(3-methyl-1,1-dioxothiolan-3-yl)acetyl]indazol-3-yl]benzamide
CID 159628974
methyl 4-[3-(2-chlorophenyl)-6-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]indazol-1-yl]benzoate
CID 134522546

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone?
The IUPAC name of 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone (CID 153447161) is 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone is O=C(CO)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone?
The InChIKey is KISISBCQTGBMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN2O2/c22-18-4-2-1-3-16(18)21-17-10-5-13(20(27)12-26)11-19(17)25(24-21)15-8-6-14(23)7-9-15/h1-11,26H,12H2.
What are the key properties of 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone?
1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone has a molecular weight of 380.81 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone is sourced from PubChem (CID 153447161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).