(2,6-dichloro-3-methylphenyl)-[3,7-dimethyl-5-(trifluoromethoxy)-2,3-dihydroindol-1-yl]methanone

C19H16Cl2F3NO2 — CID 146494113

IUPAC(2,6-dichloro-3-methylphenyl)-[3,7-dimethyl-5-(trifluoromethoxy)-2,3-dihydroindol-1-yl]methanone
SMILESCc1ccc(Cl)c(C(=O)N2CC(C)c3cc(OC(F)(F)F)cc(C)c32)c1Cl
InChIInChI=1S/C19H16Cl2F3NO2/c1-9-4-5-14(20)15(16(9)21)18(26)25-8-11(3)13-7-12(27-19(22,23)24)6-10(2)17(13)25/h4-7,11H,8H2,1-3H3
InChIKeyOFWCNGYYPOPJFG-UHFFFAOYSA-N
MW418.24 g/mol
LogP6.27
Rot. Bonds2

About (2,6-dichloro-3-methylphenyl)-[3,7-dimethyl-5-(trifluoromethoxy)-2,3-dihydroindol-1-yl]methanone

(2,6-dichloro-3-methylphenyl)-[3,7-dimethyl-5-(trifluoromethoxy)-2,3-dihydroindol-1-yl]methanone (PubChem CID 146494113) has the molecular formula C19H16Cl2F3NO2 and a molecular weight of 418.24 g/mol. Its IUPAC name is (2,6-dichloro-3-methylphenyl)-[3,7-dimethyl-5-(trifluoromethoxy)-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dichloro-3-methylphenyl)-[3,7-dimethyl-5-(trifluoromethoxy)-2,3-dihydroindol-1-yl]methanone
PubChem CID146494113
Molecular FormulaC19H16Cl2F3NO2
Molecular Weight418.24 g/mol
Exact Mass417.05
IUPAC Name(2,6-dichloro-3-methylphenyl)-[3,7-dimethyl-5-(trifluoromethoxy)-2,3-dihydroindol-1-yl]methanone
SMILESCc1ccc(Cl)c(C(=O)N2CC(C)c3cc(OC(F)(F)F)cc(C)c32)c1Cl
InChIInChI=1S/C19H16Cl2F3NO2/c1-9-4-5-14(20)15(16(9)21)18(26)25-8-11(3)13-7-12(27-19(22,23)24)6-10(2)17(13)25/h4-7,11H,8H2,1-3H3
InChIKeyOFWCNGYYPOPJFG-UHFFFAOYSA-N
XLogP6.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.24
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-3-methylphenyl)-[3,7-dimethyl-5-(trifluoromethoxy)-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of (2,6-dichloro-3-methylphenyl)-[3,7-dimethyl-5-(trifluoromethoxy)-2,3-dihydroindol-1-yl]methanone (CID 146494113) is (2,6-dichloro-3-methylphenyl)-[3,7-dimethyl-5-(trifluoromethoxy)-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for (2,6-dichloro-3-methylphenyl)-[3,7-dimethyl-5-(trifluoromethoxy)-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for (2,6-dichloro-3-methylphenyl)-[3,7-dimethyl-5-(trifluoromethoxy)-2,3-dihydroindol-1-yl]methanone is Cc1ccc(Cl)c(C(=O)N2CC(C)c3cc(OC(F)(F)F)cc(C)c32)c1Cl.
What is the InChIKey of (2,6-dichloro-3-methylphenyl)-[3,7-dimethyl-5-(trifluoromethoxy)-2,3-dihydroindol-1-yl]methanone?
The InChIKey is OFWCNGYYPOPJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2F3NO2/c1-9-4-5-14(20)15(16(9)21)18(26)25-8-11(3)13-7-12(27-19(22,23)24)6-10(2)17(13)25/h4-7,11H,8H2,1-3H3.
What are the key properties of (2,6-dichloro-3-methylphenyl)-[3,7-dimethyl-5-(trifluoromethoxy)-2,3-dihydroindol-1-yl]methanone?
(2,6-dichloro-3-methylphenyl)-[3,7-dimethyl-5-(trifluoromethoxy)-2,3-dihydroindol-1-yl]methanone has a molecular weight of 418.24 g/mol, XLogP of 6.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-3-methylphenyl)-[3,7-dimethyl-5-(trifluoromethoxy)-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 146494113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).