2-(5-fluoro-1H-indol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

C19H17FN2O — CID 113209348

IUPAC2-(5-fluoro-1H-indol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)Cc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C19H17FN2O/c1-12-8-13-4-2-3-5-18(13)22(12)19(23)9-14-11-21-17-7-6-15(20)10-16(14)17/h2-7,10-12,21H,8-9H2,1H3
InChIKeyGTGQZABEHMBGEK-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.83
Rot. Bonds2

About 2-(5-fluoro-1H-indol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

2-(5-fluoro-1H-indol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 113209348) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-fluoro-1H-indol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID113209348
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name2-(5-fluoro-1H-indol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)Cc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C19H17FN2O/c1-12-8-13-4-2-3-5-18(13)22(12)19(23)9-14-11-21-17-7-6-15(20)10-16(14)17/h2-7,10-12,21H,8-9H2,1H3
InChIKeyGTGQZABEHMBGEK-UHFFFAOYSA-N
XLogP3.83
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(6-fluoro-1H-indol-3-yl)-1-[(3R)-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone
CID 95974075
2-(4-hydroxyphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 78838862
2-(5-fluoro-1H-indol-3-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 111425118
(5R)-5-(1H-indol-3-ylmethyl)-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 2442754
2-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 41066115
2-(5-fluoro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9099723
2-(3-bromophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 113098893
1-(1H-indol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione
CID 7117347
2-(2-chloro-4-fluoroanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9099520
2-(4-fluorophenyl)-2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 113197482
2-(3H-benzimidazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 110772518
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)sulfanylacetate
CID 24980657

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (CID 113209348) is 2-(5-fluoro-1H-indol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(5-fluoro-1H-indol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(5-fluoro-1H-indol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is CC1Cc2ccccc2N1C(=O)Cc1c[nH]c2ccc(F)cc12.
What is the InChIKey of 2-(5-fluoro-1H-indol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is GTGQZABEHMBGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c1-12-8-13-4-2-3-5-18(13)22(12)19(23)9-14-11-21-17-7-6-15(20)10-16(14)17/h2-7,10-12,21H,8-9H2,1H3.
What are the key properties of 2-(5-fluoro-1H-indol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
2-(5-fluoro-1H-indol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 308.36 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1H-indol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 113209348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).