1,3-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]indol-2-one

C19H18F3NO — CID 134817679

IUPAC1,3-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]indol-2-one
SMILESCN1C(=O)C(C)(CCc2ccccc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C19H18F3NO/c1-18(15-9-5-6-10-16(15)23(2)17(18)24)12-11-13-7-3-4-8-14(13)19(20,21)22/h3-10H,11-12H2,1-2H3
InChIKeyHFTAQGOZDBRBFS-UHFFFAOYSA-N
MW333.35 g/mol
LogP4.57
Rot. Bonds3

About 1,3-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]indol-2-one

1,3-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]indol-2-one (PubChem CID 134817679) has the molecular formula C19H18F3NO and a molecular weight of 333.35 g/mol. Its IUPAC name is 1,3-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]indol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]indol-2-one
PubChem CID134817679
Molecular FormulaC19H18F3NO
Molecular Weight333.35 g/mol
Exact Mass333.13
IUPAC Name1,3-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]indol-2-one
SMILESCN1C(=O)C(C)(CCc2ccccc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C19H18F3NO/c1-18(15-9-5-6-10-16(15)23(2)17(18)24)12-11-13-7-3-4-8-14(13)19(20,21)22/h3-10H,11-12H2,1-2H3
InChIKeyHFTAQGOZDBRBFS-UHFFFAOYSA-N
XLogP4.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ropinirole
CID 5095
N-Methyloxindole
CID 6096
2,3-Dihydro-2-phenyl-1H-isoindol-1-one
CID 97035
N-Ethyloxindole
CID 66135
DR-4004
CID 9843179
1-Phenyloxindole
CID 314787
2-[4-(dimethylamino)phenyl]-3H-isoindol-1-one
CID 11054136
3-ethyl-3-{4-[4-(4-fluorophenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 24854187
2-[4-(dimethylamino)phenyl]-5-fluoro-3H-isoindol-1-one
CID 25266662
2-[4-(dimethylamino)phenyl]-6-fluoro-3H-isoindol-1-one
CID 25266666
2-(4-Methylphenyl)isoindolin-1-one
CID 2836108
2,3-Dihydroindol-1-yl-(2-fluorophenyl)methanone
CID 579820

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]indol-2-one?
The IUPAC name of 1,3-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]indol-2-one (CID 134817679) is 1,3-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]indol-2-one.
What is the SMILES notation for 1,3-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]indol-2-one?
The canonical SMILES for 1,3-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]indol-2-one is CN1C(=O)C(C)(CCc2ccccc2C(F)(F)F)c2ccccc21.
What is the InChIKey of 1,3-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]indol-2-one?
The InChIKey is HFTAQGOZDBRBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO/c1-18(15-9-5-6-10-16(15)23(2)17(18)24)12-11-13-7-3-4-8-14(13)19(20,21)22/h3-10H,11-12H2,1-2H3.
What are the key properties of 1,3-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]indol-2-one?
1,3-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]indol-2-one has a molecular weight of 333.35 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]indol-2-one is sourced from PubChem (CID 134817679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).