(6-bromo-1H-indol-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone

C19H16BrFN2O — CID 178095009

IUPAC(6-bromo-1H-indol-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1c[nH]c2cc(Br)ccc12)N1CCC[C@@H]1c1ccccc1F
InChIInChI=1S/C19H16BrFN2O/c20-12-7-8-13-15(11-22-17(13)10-12)19(24)23-9-3-6-18(23)14-4-1-2-5-16(14)21/h1-2,4-5,7-8,10-11,18,22H,3,6,9H2/t18-/m1/s1
InChIKeyAYSQMVNBIJDMCJ-GOSISDBHSA-N
MW387.25 g/mol
LogP5.05
Rot. Bonds2

About (6-bromo-1H-indol-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone

(6-bromo-1H-indol-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 178095009) has the molecular formula C19H16BrFN2O and a molecular weight of 387.25 g/mol. Its IUPAC name is (6-bromo-1H-indol-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-bromo-1H-indol-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone
PubChem CID178095009
Molecular FormulaC19H16BrFN2O
Molecular Weight387.25 g/mol
Exact Mass386.04
IUPAC Name(6-bromo-1H-indol-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1c[nH]c2cc(Br)ccc12)N1CCC[C@@H]1c1ccccc1F
InChIInChI=1S/C19H16BrFN2O/c20-12-7-8-13-15(11-22-17(13)10-12)19(24)23-9-3-6-18(23)14-4-1-2-5-16(14)21/h1-2,4-5,7-8,10-11,18,22H,3,6,9H2/t18-/m1/s1
InChIKeyAYSQMVNBIJDMCJ-GOSISDBHSA-N
XLogP5.05
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.25
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(2-fluorophenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]methanone
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(5-bromo-1H-indol-3-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 45354604
(6-bromo-1H-indol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 172654886
(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone
CID 51548435
2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl(1H-indol-3-yl)methanone
CID 67223431
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(1H-indol-3-yl)methanone
CID 17421277
(4-bromo-2-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 43018663
6-fluoro-3-[(2S)-2-pyridin-2-ylpyrrolidine-1-carbonyl]-1H-quinolin-4-one
CID 95867221
1-(6-bromo-1H-indol-3-yl)-2-cyclobutylethanone
CID 103162463
2-(2-chlorophenyl)-1-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]ethanone
CID 51855627
(6-bromo-1H-indol-3-yl)-(2-methylmorpholin-4-yl)methanone
CID 172654877
tert-butyl 2-(4-bromo-2-fluorophenyl)pyrrolidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of (6-bromo-1H-indol-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (6-bromo-1H-indol-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone (CID 178095009) is (6-bromo-1H-indol-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-bromo-1H-indol-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (6-bromo-1H-indol-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone is O=C(c1c[nH]c2cc(Br)ccc12)N1CCC[C@@H]1c1ccccc1F.
What is the InChIKey of (6-bromo-1H-indol-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is AYSQMVNBIJDMCJ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H16BrFN2O/c20-12-7-8-13-15(11-22-17(13)10-12)19(24)23-9-3-6-18(23)14-4-1-2-5-16(14)21/h1-2,4-5,7-8,10-11,18,22H,3,6,9H2/t18-/m1/s1.
What are the key properties of (6-bromo-1H-indol-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone?
(6-bromo-1H-indol-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 387.25 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1H-indol-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 178095009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).