3-chloro-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

C17H14ClF3N2O2 — CID 3591119

IUPAC3-chloro-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCC1Cc2ccccc2N1C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C17H14ClF3N2O2/c1-10-6-11-4-2-3-5-14(11)23(10)15(24)9-22-8-12(17(19,20)21)7-13(18)16(22)25/h2-5,7-8,10H,6,9H2,1H3
InChIKeyCDLDNNIXYDZMHU-UHFFFAOYSA-N
MW370.76 g/mol
LogP3.50
Rot. Bonds2

About 3-chloro-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

3-chloro-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 3591119) has the molecular formula C17H14ClF3N2O2 and a molecular weight of 370.76 g/mol. Its IUPAC name is 3-chloro-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID3591119
Molecular FormulaC17H14ClF3N2O2
Molecular Weight370.76 g/mol
Exact Mass370.07
IUPAC Name3-chloro-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCC1Cc2ccccc2N1C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C17H14ClF3N2O2/c1-10-6-11-4-2-3-5-14(11)23(10)15(24)9-22-8-12(17(19,20)21)7-13(18)16(22)25/h2-5,7-8,10H,6,9H2,1H3
InChIKeyCDLDNNIXYDZMHU-UHFFFAOYSA-N
XLogP3.50
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.76
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 2466646
3-chloro-1-(2-oxopropyl)-5-(trifluoromethyl)pyridin-2-one
CID 8894290
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
1-(2-methyl-2,3-dihydroindol-1-yl)-3-[4-(trifluoromethyl)anilino]propan-1-one
CID 109040861
2-(3-chloro-4-fluorophenoxy)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7751253
6-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one
CID 51951439
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 45147608
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-diazepan-1-yl]ethanone
CID 3438367
6-ethyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 8003928
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 26910874
6-(2-fluorophenyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyrimidin-4-one
CID 121063400
2-(benzimidazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3408153

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-chloro-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (CID 3591119) is 3-chloro-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-chloro-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-chloro-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is CC1Cc2ccccc2N1C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O.
What is the InChIKey of 3-chloro-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is CDLDNNIXYDZMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O2/c1-10-6-11-4-2-3-5-14(11)23(10)15(24)9-22-8-12(17(19,20)21)7-13(18)16(22)25/h2-5,7-8,10H,6,9H2,1H3.
What are the key properties of 3-chloro-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
3-chloro-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 370.76 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 3591119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).