(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethoxy)anilino]propan-1-one

C19H19F3N2O2 — CID 32786814

IUPAC(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethoxy)anilino]propan-1-one
SMILESC[C@@H](Nc1cccc(OC(F)(F)F)c1)C(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C19H19F3N2O2/c1-12-10-14-6-3-4-9-17(14)24(12)18(25)13(2)23-15-7-5-8-16(11-15)26-19(20,21)22/h3-9,11-13,23H,10H2,1-2H3/t12-,13+/m0/s1
InChIKeyKROZHGXZMBXNMU-QWHCGFSZSA-N
MW364.37 g/mol
LogP4.36
Rot. Bonds4

About (2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethoxy)anilino]propan-1-one

(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethoxy)anilino]propan-1-one (PubChem CID 32786814) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethoxy)anilino]propan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethoxy)anilino]propan-1-one
PubChem CID32786814
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethoxy)anilino]propan-1-one
SMILESC[C@@H](Nc1cccc(OC(F)(F)F)c1)C(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C19H19F3N2O2/c1-12-10-14-6-3-4-9-17(14)24(12)18(25)13(2)23-15-7-5-8-16(11-15)26-19(20,21)22/h3-9,11-13,23H,10H2,1-2H3/t12-,13+/m0/s1
InChIKeyKROZHGXZMBXNMU-QWHCGFSZSA-N
XLogP4.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 55351280
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CID 2462085
(2R)-2-[(6-methoxy-3-pyridinyl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
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CID 31010331
methyl N-methyl-N-[4-[[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 95171946
4-fluoro-N-[4-[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]benzenesulfonamide
CID 30935060
3-methyl-N-[4-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]butanamide
CID 43049982
[(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7842478
2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methanone
CID 34217452
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 3-methoxybenzoate
CID 7986020
(2R)-2-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 79011425

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethoxy)anilino]propan-1-one?
The IUPAC name of (2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethoxy)anilino]propan-1-one (CID 32786814) is (2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethoxy)anilino]propan-1-one.
What is the SMILES notation for (2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethoxy)anilino]propan-1-one?
The canonical SMILES for (2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethoxy)anilino]propan-1-one is C[C@@H](Nc1cccc(OC(F)(F)F)c1)C(=O)N1c2ccccc2C[C@@H]1C.
What is the InChIKey of (2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethoxy)anilino]propan-1-one?
The InChIKey is KROZHGXZMBXNMU-QWHCGFSZSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-12-10-14-6-3-4-9-17(14)24(12)18(25)13(2)23-15-7-5-8-16(11-15)26-19(20,21)22/h3-9,11-13,23H,10H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of (2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethoxy)anilino]propan-1-one?
(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethoxy)anilino]propan-1-one has a molecular weight of 364.37 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethoxy)anilino]propan-1-one is sourced from PubChem (CID 32786814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).