3,3-dimethyl-N-[2-oxo-2-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethyl]heptanamide

C20H27F3N2O2 — CID 56976832

IUPAC3,3-dimethyl-N-[2-oxo-2-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethyl]heptanamide
SMILESCCCCC(C)(C)CC(=O)NCC(=O)N1CCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C20H27F3N2O2/c1-4-5-9-19(2,3)12-17(26)24-13-18(27)25-10-8-14-6-7-15(11-16(14)25)20(21,22)23/h6-7,11H,4-5,8-10,12-13H2,1-3H3,(H,24,26)
InChIKeyBUKZLYLXIDHUPP-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.32
Rot. Bonds7

About 3,3-dimethyl-N-[2-oxo-2-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethyl]heptanamide

3,3-dimethyl-N-[2-oxo-2-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethyl]heptanamide (PubChem CID 56976832) has the molecular formula C20H27F3N2O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-oxo-2-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethyl]heptanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-oxo-2-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethyl]heptanamide
PubChem CID56976832
Molecular FormulaC20H27F3N2O2
Molecular Weight384.44 g/mol
Exact Mass384.20
IUPAC Name3,3-dimethyl-N-[2-oxo-2-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethyl]heptanamide
SMILESCCCCC(C)(C)CC(=O)NCC(=O)N1CCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C20H27F3N2O2/c1-4-5-9-19(2,3)12-17(26)24-13-18(27)25-10-8-14-6-7-15(11-16(14)25)20(21,22)23/h6-7,11H,4-5,8-10,12-13H2,1-3H3,(H,24,26)
InChIKeyBUKZLYLXIDHUPP-UHFFFAOYSA-N
XLogP4.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-one
CID 141161915
2-amino-N-[2-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 104872444
1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 4818722
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
1-[7-(trifluoromethyl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propan-1-one
CID 156822992
1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 73012338
5-(6-fluoro-2,3-dihydroindol-1-yl)-3,3-dimethyl-5-oxopentanoic acid
CID 103494270
N,N-dimethyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]-2,3-dihydroindole-6-sulfonamide
CID 86956997
1-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119760474
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 166182398
propan-2-yl 7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 141019708
1-(6-fluoro-2,3-dihydroindol-1-yl)-3,4,4-trimethylpentan-1-one
CID 86901344

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-oxo-2-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethyl]heptanamide?
The IUPAC name of 3,3-dimethyl-N-[2-oxo-2-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethyl]heptanamide (CID 56976832) is 3,3-dimethyl-N-[2-oxo-2-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethyl]heptanamide.
What is the SMILES notation for 3,3-dimethyl-N-[2-oxo-2-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethyl]heptanamide?
The canonical SMILES for 3,3-dimethyl-N-[2-oxo-2-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethyl]heptanamide is CCCCC(C)(C)CC(=O)NCC(=O)N1CCc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 3,3-dimethyl-N-[2-oxo-2-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethyl]heptanamide?
The InChIKey is BUKZLYLXIDHUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O2/c1-4-5-9-19(2,3)12-17(26)24-13-18(27)25-10-8-14-6-7-15(11-16(14)25)20(21,22)23/h6-7,11H,4-5,8-10,12-13H2,1-3H3,(H,24,26).
What are the key properties of 3,3-dimethyl-N-[2-oxo-2-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethyl]heptanamide?
3,3-dimethyl-N-[2-oxo-2-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethyl]heptanamide has a molecular weight of 384.44 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-oxo-2-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethyl]heptanamide is sourced from PubChem (CID 56976832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).