1-[(4-fluorophenyl)methyl]-3-[[2-hydroxy-2-(1H-indol-3-yl)ethyl]amino]pyrrolidin-2-one

C21H22FN3O2 — CID 163362063

IUPAC1-[(4-fluorophenyl)methyl]-3-[[2-hydroxy-2-(1H-indol-3-yl)ethyl]amino]pyrrolidin-2-one
SMILESO=C1C(NCC(O)c2c[nH]c3ccccc23)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C21H22FN3O2/c22-15-7-5-14(6-8-15)13-25-10-9-19(21(25)27)24-12-20(26)17-11-23-18-4-2-1-3-16(17)18/h1-8,11,19-20,23-24,26H,9-10,12-13H2
InChIKeyHVFCYULGDAFOIC-UHFFFAOYSA-N
MW367.42 g/mol
LogP2.73
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-3-[[2-hydroxy-2-(1H-indol-3-yl)ethyl]amino]pyrrolidin-2-one

1-[(4-fluorophenyl)methyl]-3-[[2-hydroxy-2-(1H-indol-3-yl)ethyl]amino]pyrrolidin-2-one (PubChem CID 163362063) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[[2-hydroxy-2-(1H-indol-3-yl)ethyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[[2-hydroxy-2-(1H-indol-3-yl)ethyl]amino]pyrrolidin-2-one
PubChem CID163362063
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[[2-hydroxy-2-(1H-indol-3-yl)ethyl]amino]pyrrolidin-2-one
SMILESO=C1C(NCC(O)c2c[nH]c3ccccc23)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C21H22FN3O2/c22-15-7-5-14(6-8-15)13-25-10-9-19(21(25)27)24-12-20(26)17-11-23-18-4-2-1-3-16(17)18/h1-8,11,19-20,23-24,26H,9-10,12-13H2
InChIKeyHVFCYULGDAFOIC-UHFFFAOYSA-N
XLogP2.73
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(4-fluorophenyl)methyl]-3-[[2-hydroxy-2-(1H-indol-3-yl)ethyl]amino]pyrrolidin-2-one with MolForge

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Related Compounds

cyclo[Lys-D-Trp-Tyr-Pro-Phe-Thr]
CID 70692642
cyclic LVVYPWT
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Gal-B5
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(N-Me,des-Sar)Gal-B2
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1-(1H-indol-3-yl)-2-(piperidin-1-yl)ethanol
CID 3599332
2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol
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Nemifitide
CID 6918348
n-Methyl-l-valyl-l-tryptophanol
CID 91115345
[Sar1Ala]GAL-B2
CID 45104655
[N-Ac,des-Sar]Gal-B2
CID 45104656
N-[(2S,5S,8R,12R)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-3,6,11,14-tetraoxo-1,4,7,10-tetrazacyclotetradec-12-yl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 11251435

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[[2-hydroxy-2-(1H-indol-3-yl)ethyl]amino]pyrrolidin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[[2-hydroxy-2-(1H-indol-3-yl)ethyl]amino]pyrrolidin-2-one (CID 163362063) is 1-[(4-fluorophenyl)methyl]-3-[[2-hydroxy-2-(1H-indol-3-yl)ethyl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[[2-hydroxy-2-(1H-indol-3-yl)ethyl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[[2-hydroxy-2-(1H-indol-3-yl)ethyl]amino]pyrrolidin-2-one is O=C1C(NCC(O)c2c[nH]c3ccccc23)CCN1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[[2-hydroxy-2-(1H-indol-3-yl)ethyl]amino]pyrrolidin-2-one?
The InChIKey is HVFCYULGDAFOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c22-15-7-5-14(6-8-15)13-25-10-9-19(21(25)27)24-12-20(26)17-11-23-18-4-2-1-3-16(17)18/h1-8,11,19-20,23-24,26H,9-10,12-13H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[[2-hydroxy-2-(1H-indol-3-yl)ethyl]amino]pyrrolidin-2-one?
1-[(4-fluorophenyl)methyl]-3-[[2-hydroxy-2-(1H-indol-3-yl)ethyl]amino]pyrrolidin-2-one has a molecular weight of 367.42 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[[2-hydroxy-2-(1H-indol-3-yl)ethyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 163362063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).