2-(4-chloro-2-methylphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone

C18H15ClF3NO2 — CID 170306537

IUPAC2-(4-chloro-2-methylphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone
SMILESCc1cc(Cl)ccc1CC(=O)N1CCc2ccc(OC(F)(F)F)cc21
InChIInChI=1S/C18H15ClF3NO2/c1-11-8-14(19)4-2-13(11)9-17(24)23-7-6-12-3-5-15(10-16(12)23)25-18(20,21)22/h2-5,8,10H,6-7,9H2,1H3
InChIKeyMZASBEQWMSHCNG-UHFFFAOYSA-N
MW369.77 g/mol
LogP4.68
Rot. Bonds3

About 2-(4-chloro-2-methylphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone

2-(4-chloro-2-methylphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 170306537) has the molecular formula C18H15ClF3NO2 and a molecular weight of 369.77 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone
PubChem CID170306537
Molecular FormulaC18H15ClF3NO2
Molecular Weight369.77 g/mol
Exact Mass369.07
IUPAC Name2-(4-chloro-2-methylphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone
SMILESCc1cc(Cl)ccc1CC(=O)N1CCc2ccc(OC(F)(F)F)cc21
InChIInChI=1S/C18H15ClF3NO2/c1-11-8-14(19)4-2-13(11)9-17(24)23-7-6-12-3-5-15(10-16(12)23)25-18(20,21)22/h2-5,8,10H,6-7,9H2,1H3
InChIKeyMZASBEQWMSHCNG-UHFFFAOYSA-N
XLogP4.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.77
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-2-methoxyphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone
CID 142476991
2-(3-methylpiperazin-1-yl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 78079147
methyl 4-[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-2,2-dimethylbutanoate
CID 162207124
cis-methyl (1R,2R)-2-[[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]methyl]cyclopropane-1-carboxylate
CID 158136935
3-amino-1-(6-chloro-2,3-dihydroindol-1-yl)propan-1-one
CID 119310127
1-(6-chloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one
CID 135195397
[3-(3-carboxypropoxy)-5-methoxyphenyl]-[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethylidene]azanium
CID 163199712
1-(4,6-difluoro-2,3-dihydroindol-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 112834091
6-chloro-2,3-dihydroindole-1-carbonyl chloride
CID 139548954
4-[3-[[(1R)-1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]butanoic acid
CID 172872934
1-(6-methoxy-2,3-dihydroindol-1-yl)butane-1,3-dione
CID 19612116
N-[4-[2-(6-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 166216389

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-(4-chloro-2-methylphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone (CID 170306537) is 2-(4-chloro-2-methylphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-(4-chloro-2-methylphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-(4-chloro-2-methylphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone is Cc1cc(Cl)ccc1CC(=O)N1CCc2ccc(OC(F)(F)F)cc21.
What is the InChIKey of 2-(4-chloro-2-methylphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is MZASBEQWMSHCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3NO2/c1-11-8-14(19)4-2-13(11)9-17(24)23-7-6-12-3-5-15(10-16(12)23)25-18(20,21)22/h2-5,8,10H,6-7,9H2,1H3.
What are the key properties of 2-(4-chloro-2-methylphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone?
2-(4-chloro-2-methylphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 369.77 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 170306537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).