(4-fluorophenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone

C20H19FN2O — CID 113088434

IUPAC(4-fluorophenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
SMILESCn1c(C2CCN(C(=O)c3ccc(F)cc3)C2)cc2ccccc21
InChIInChI=1S/C20H19FN2O/c1-22-18-5-3-2-4-15(18)12-19(22)16-10-11-23(13-16)20(24)14-6-8-17(21)9-7-14/h2-9,12,16H,10-11,13H2,1H3
InChIKeyMOOAUPKMOIELGN-UHFFFAOYSA-N
MW322.38 g/mol
LogP3.95
Rot. Bonds2

About (4-fluorophenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone

(4-fluorophenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 113088434) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID113088434
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC Name(4-fluorophenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
SMILESCn1c(C2CCN(C(=O)c3ccc(F)cc3)C2)cc2ccccc21
InChIInChI=1S/C20H19FN2O/c1-22-18-5-3-2-4-15(18)12-19(22)16-10-11-23(13-16)20(24)14-6-8-17(21)9-7-14/h2-9,12,16H,10-11,13H2,1H3
InChIKeyMOOAUPKMOIELGN-UHFFFAOYSA-N
XLogP3.95
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)-[4-(1-methylindol-2-yl)piperidin-1-yl]methanone
CID 113087934
(3,4-dimethylphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088443
(2,6-dimethoxyphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088442
cyclobutyl-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088482
1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]pentan-1-one
CID 113088420
methyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate
CID 113087974
(4-fluorophenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087831
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
2-(4-chlorophenyl)-1-[4-(1-methylindol-2-yl)piperidin-1-yl]ethanone
CID 113087949
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperidin-1-yl)methanone
CID 134799195
1-methyl-2-(1-methylsulfonylpiperidin-4-yl)indole
CID 113087981

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone (CID 113088434) is (4-fluorophenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone is Cn1c(C2CCN(C(=O)c3ccc(F)cc3)C2)cc2ccccc21.
What is the InChIKey of (4-fluorophenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is MOOAUPKMOIELGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O/c1-22-18-5-3-2-4-15(18)12-19(22)16-10-11-23(13-16)20(24)14-6-8-17(21)9-7-14/h2-9,12,16H,10-11,13H2,1H3.
What are the key properties of (4-fluorophenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone?
(4-fluorophenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 322.38 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 113088434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).