2-(2-oxopropyl)-9-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one

C20H15F3N2O2 — CID 6538749

IUPAC2-(2-oxopropyl)-9-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
SMILESCC(=O)Cc1ccc2c(c1)-c1[nH]c3ccc(C(F)(F)F)cc3c1CC(=O)N2
InChIInChI=1S/C20H15F3N2O2/c1-10(26)6-11-2-4-17-15(7-11)19-14(9-18(27)24-17)13-8-12(20(21,22)23)3-5-16(13)25-19/h2-5,7-8,25H,6,9H2,1H3,(H,24,27)
InChIKeyKQINIHDQMUXUNU-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.48
Rot. Bonds2

About 2-(2-oxopropyl)-9-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one

2-(2-oxopropyl)-9-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one (PubChem CID 6538749) has the molecular formula C20H15F3N2O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is 2-(2-oxopropyl)-9-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one.

Molecular Properties

Compound Name2-(2-oxopropyl)-9-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
PubChem CID6538749
Molecular FormulaC20H15F3N2O2
Molecular Weight372.35 g/mol
Exact Mass372.11
IUPAC Name2-(2-oxopropyl)-9-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
SMILESCC(=O)Cc1ccc2c(c1)-c1[nH]c3ccc(C(F)(F)F)cc3c1CC(=O)N2
InChIInChI=1S/C20H15F3N2O2/c1-10(26)6-11-2-4-17-15(7-11)19-14(9-18(27)24-17)13-8-12(20(21,22)23)3-5-16(13)25-19/h2-5,7-8,25H,6,9H2,1H3,(H,24,27)
InChIKeyKQINIHDQMUXUNU-UHFFFAOYSA-N
XLogP4.48
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopropyl)-9-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one?
The IUPAC name of 2-(2-oxopropyl)-9-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one (CID 6538749) is 2-(2-oxopropyl)-9-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one.
What is the SMILES notation for 2-(2-oxopropyl)-9-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one?
The canonical SMILES for 2-(2-oxopropyl)-9-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one is CC(=O)Cc1ccc2c(c1)-c1[nH]c3ccc(C(F)(F)F)cc3c1CC(=O)N2.
What is the InChIKey of 2-(2-oxopropyl)-9-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one?
The InChIKey is KQINIHDQMUXUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O2/c1-10(26)6-11-2-4-17-15(7-11)19-14(9-18(27)24-17)13-8-12(20(21,22)23)3-5-16(13)25-19/h2-5,7-8,25H,6,9H2,1H3,(H,24,27).
What are the key properties of 2-(2-oxopropyl)-9-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one?
2-(2-oxopropyl)-9-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one has a molecular weight of 372.35 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopropyl)-9-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one is sourced from PubChem (CID 6538749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).