(2S)-2-(4-fluorophenyl)-3-hydroxy-N-(3-indol-1-ylpropyl)propanamide

C20H21FN2O2 — CID 124727193

IUPAC(2S)-2-(4-fluorophenyl)-3-hydroxy-N-(3-indol-1-ylpropyl)propanamide
SMILESO=C(NCCCn1ccc2ccccc21)[C@H](CO)c1ccc(F)cc1
InChIInChI=1S/C20H21FN2O2/c21-17-8-6-15(7-9-17)18(14-24)20(25)22-11-3-12-23-13-10-16-4-1-2-5-19(16)23/h1-2,4-10,13,18,24H,3,11-12,14H2,(H,22,25)/t18-/m1/s1
InChIKeyCPOJRVJTNXJGJB-GOSISDBHSA-N
MW340.40 g/mol
LogP3.06
Rot. Bonds7

About (2S)-2-(4-fluorophenyl)-3-hydroxy-N-(3-indol-1-ylpropyl)propanamide

(2S)-2-(4-fluorophenyl)-3-hydroxy-N-(3-indol-1-ylpropyl)propanamide (PubChem CID 124727193) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-3-hydroxy-N-(3-indol-1-ylpropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-3-hydroxy-N-(3-indol-1-ylpropyl)propanamide
PubChem CID124727193
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name(2S)-2-(4-fluorophenyl)-3-hydroxy-N-(3-indol-1-ylpropyl)propanamide
SMILESO=C(NCCCn1ccc2ccccc21)[C@H](CO)c1ccc(F)cc1
InChIInChI=1S/C20H21FN2O2/c21-17-8-6-15(7-9-17)18(14-24)20(25)22-11-3-12-23-13-10-16-4-1-2-5-19(16)23/h1-2,4-10,13,18,24H,3,11-12,14H2,(H,22,25)/t18-/m1/s1
InChIKeyCPOJRVJTNXJGJB-GOSISDBHSA-N
XLogP3.06
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
4-fluoro-N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]benzamide
CID 51165310
(2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide
CID 94154350
2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide
CID 166330830
3-(4-fluorophenyl)-N-(3-indol-1-ylpropyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 55739350
1-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]-3-(3-indol-1-ylpropyl)urea
CID 52710608
2,2,3,3-tetrafluoro-N-(3-indol-1-ylpropyl)propanamide
CID 103732076
2-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)acetamide
CID 51165336
2-[(4-fluorophenyl)methyl]-3-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]propanamide
CID 111342109
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-indol-1-ylpropyl)urea
CID 110911712
N-(3-indol-1-ylpropyl)-2-methyl-2-(methylamino)propanamide
CID 62845640
N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide
CID 78799397

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-3-hydroxy-N-(3-indol-1-ylpropyl)propanamide?
The IUPAC name of (2S)-2-(4-fluorophenyl)-3-hydroxy-N-(3-indol-1-ylpropyl)propanamide (CID 124727193) is (2S)-2-(4-fluorophenyl)-3-hydroxy-N-(3-indol-1-ylpropyl)propanamide.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-3-hydroxy-N-(3-indol-1-ylpropyl)propanamide?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-3-hydroxy-N-(3-indol-1-ylpropyl)propanamide is O=C(NCCCn1ccc2ccccc21)[C@H](CO)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-3-hydroxy-N-(3-indol-1-ylpropyl)propanamide?
The InChIKey is CPOJRVJTNXJGJB-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-17-8-6-15(7-9-17)18(14-24)20(25)22-11-3-12-23-13-10-16-4-1-2-5-19(16)23/h1-2,4-10,13,18,24H,3,11-12,14H2,(H,22,25)/t18-/m1/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-3-hydroxy-N-(3-indol-1-ylpropyl)propanamide?
(2S)-2-(4-fluorophenyl)-3-hydroxy-N-(3-indol-1-ylpropyl)propanamide has a molecular weight of 340.40 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-3-hydroxy-N-(3-indol-1-ylpropyl)propanamide is sourced from PubChem (CID 124727193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).