2-amino-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-1-one

C20H18F3N3O — CID 58433060

IUPAC2-amino-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-1-one
SMILESCC(N)C(=O)N1c2ccccc2CC1C1=Nc2cc(C(F)(F)F)ccc2C1
InChIInChI=1S/C20H18F3N3O/c1-11(24)19(27)26-17-5-3-2-4-13(17)9-18(26)16-8-12-6-7-14(20(21,22)23)10-15(12)25-16/h2-7,10-11,18H,8-9,24H2,1H3
InChIKeyIHBDOUXJZXRIOL-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.64
Rot. Bonds2

About 2-amino-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-1-one

2-amino-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-1-one (PubChem CID 58433060) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is 2-amino-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-1-one
PubChem CID58433060
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name2-amino-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-1-one
SMILESCC(N)C(=O)N1c2ccccc2CC1C1=Nc2cc(C(F)(F)F)ccc2C1
InChIInChI=1S/C20H18F3N3O/c1-11(24)19(27)26-17-5-3-2-4-13(17)9-18(26)16-8-12-6-7-14(20(21,22)23)10-15(12)25-16/h2-7,10-11,18H,8-9,24H2,1H3
InChIKeyIHBDOUXJZXRIOL-UHFFFAOYSA-N
XLogP3.64
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-1-one with MolForge

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Related Compounds

1-(6-methyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 71471946
2-[(3R)-3-methylpiperazin-1-yl]-1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone
CID 71471953
2-[(3R)-3-methylpiperazin-1-yl]-1-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 71472011
2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 16301731
1-((R)-2-Methyl-2,3-dihydro-indol-1-yl)-2-[4-(4-trifluoromethyl-benzyl)-piperazin-1-yl]-ethanone
CID 44335835
1-(2-Methyl-2,3-dihydro-indol-1-yl)-2-[4-(4-trifluoromethyl-benzyl)-piperazin-1-yl]-ethanone
CID 44335853
N-[2,5-bis(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 49862901
N-methyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]-2,3-dihydroindole-2-carboxamide
CID 122192201
1-(4-Fluorophenethylpiperdin-4-yl]-6-acetamidomethylindoline
CID 10000786
1-(6-benzyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 90251742
N-cyclopentyl-2-(2,3-dihydro-1H-indol-1-yl)-2-(4-methylphenyl)acetamide
CID 4177925
1-(2,3-dihydro-1H-indol-1-yl)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one
CID 4818581

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-1-one?
The IUPAC name of 2-amino-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-1-one (CID 58433060) is 2-amino-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-1-one?
The canonical SMILES for 2-amino-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-1-one is CC(N)C(=O)N1c2ccccc2CC1C1=Nc2cc(C(F)(F)F)ccc2C1.
What is the InChIKey of 2-amino-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-1-one?
The InChIKey is IHBDOUXJZXRIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O/c1-11(24)19(27)26-17-5-3-2-4-13(17)9-18(26)16-8-12-6-7-14(20(21,22)23)10-15(12)25-16/h2-7,10-11,18H,8-9,24H2,1H3.
What are the key properties of 2-amino-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-1-one?
2-amino-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-1-one has a molecular weight of 373.38 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-1-one is sourced from PubChem (CID 58433060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).