[2-chloro-6-(trifluoromethyl)phenyl]-(3-methylindazol-1-yl)methanone;ethane

C18H16ClF3N2O — CID 144574802

IUPAC[2-chloro-6-(trifluoromethyl)phenyl]-(3-methylindazol-1-yl)methanone;ethane
SMILESCC.Cc1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2ccccc12
InChIInChI=1S/C16H10ClF3N2O.C2H6/c1-9-10-5-2-3-8-13(10)22(21-9)15(23)14-11(16(18,19)20)6-4-7-12(14)17;1-2/h2-8H,1H3;1-2H3
InChIKeyWJUOYXUGOFXMGU-UHFFFAOYSA-N
MW368.79 g/mol
LogP5.73
Rot. Bonds1

About [2-chloro-6-(trifluoromethyl)phenyl]-(3-methylindazol-1-yl)methanone;ethane

[2-chloro-6-(trifluoromethyl)phenyl]-(3-methylindazol-1-yl)methanone;ethane (PubChem CID 144574802) has the molecular formula C18H16ClF3N2O and a molecular weight of 368.79 g/mol. Its IUPAC name is [2-chloro-6-(trifluoromethyl)phenyl]-(3-methylindazol-1-yl)methanone;ethane.

Molecular Properties

Compound Name[2-chloro-6-(trifluoromethyl)phenyl]-(3-methylindazol-1-yl)methanone;ethane
PubChem CID144574802
Molecular FormulaC18H16ClF3N2O
Molecular Weight368.79 g/mol
Exact Mass368.09
IUPAC Name[2-chloro-6-(trifluoromethyl)phenyl]-(3-methylindazol-1-yl)methanone;ethane
SMILESCC.Cc1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2ccccc12
InChIInChI=1S/C16H10ClF3N2O.C2H6/c1-9-10-5-2-3-8-13(10)22(21-9)15(23)14-11(16(18,19)20)6-4-7-12(14)17;1-2/h2-8H,1H3;1-2H3
InChIKeyWJUOYXUGOFXMGU-UHFFFAOYSA-N
XLogP5.73
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.79
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-chloro-6-(trifluoromethyl)phenyl]-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]methanone
CID 141356028
(3-bromo-5-methylpyrazolo[4,3-b]pyridin-1-yl)-[2-chloro-6-(trifluoromethyl)phenyl]methanone
CID 90041793
(2-chloro-6-methylphenyl)-(3-iodoindazol-1-yl)methanone
CID 118285869
[2-chloro-6-(trifluoromethyl)phenyl]-[3-(3-fluorophenyl)pyrazolo[4,3-b]pyridin-1-yl]methanone
CID 141356032
1-[2-chloro-6-(trifluoromethyl)benzoyl]-3-iodopyrazolo[4,3-b]pyridine-6-carboxylic acid
CID 90039656
4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindazol-3-yl]-3-fluorobenzoic acid
CID 88920218
4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-6-(3-methylimidazol-4-yl)indazol-3-yl]benzoic acid
CID 90039191
[2-chloro-6-(trifluoromethyl)phenyl]-[3-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)indazol-1-yl]methanone
CID 123767013
4-[4-chloro-1-[2-chloro-6-(trifluoromethyl)benzoyl]indazol-3-yl]-1-methylcyclohex-3-ene-1-carboxylic acid
CID 73387702
4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-6-pyrimidin-2-ylindazol-3-yl]benzoic acid
CID 73295762
[2-chloro-6-(trifluoromethyl)phenyl]-[4-fluoro-3-(3-fluoro-5-hydroxyphenyl)indazol-1-yl]methanone
CID 141356037
2-chloro-4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]pyrazolo[4,3-b]pyridin-3-yl]-5-fluorobenzoic acid
CID 88920186

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(trifluoromethyl)phenyl]-(3-methylindazol-1-yl)methanone;ethane?
The IUPAC name of [2-chloro-6-(trifluoromethyl)phenyl]-(3-methylindazol-1-yl)methanone;ethane (CID 144574802) is [2-chloro-6-(trifluoromethyl)phenyl]-(3-methylindazol-1-yl)methanone;ethane.
What is the SMILES notation for [2-chloro-6-(trifluoromethyl)phenyl]-(3-methylindazol-1-yl)methanone;ethane?
The canonical SMILES for [2-chloro-6-(trifluoromethyl)phenyl]-(3-methylindazol-1-yl)methanone;ethane is CC.Cc1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2ccccc12.
What is the InChIKey of [2-chloro-6-(trifluoromethyl)phenyl]-(3-methylindazol-1-yl)methanone;ethane?
The InChIKey is WJUOYXUGOFXMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O.C2H6/c1-9-10-5-2-3-8-13(10)22(21-9)15(23)14-11(16(18,19)20)6-4-7-12(14)17;1-2/h2-8H,1H3;1-2H3.
What are the key properties of [2-chloro-6-(trifluoromethyl)phenyl]-(3-methylindazol-1-yl)methanone;ethane?
[2-chloro-6-(trifluoromethyl)phenyl]-(3-methylindazol-1-yl)methanone;ethane has a molecular weight of 368.79 g/mol, XLogP of 5.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(trifluoromethyl)phenyl]-(3-methylindazol-1-yl)methanone;ethane is sourced from PubChem (CID 144574802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).