5-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide

C30H31FN2O3 — CID 69110537

IUPAC5-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide
SMILESCCCOc1ccc(C=Cc2ccc(F)cc2)cc1C(=O)N[C@@H](CO)Cc1cn(C)c2ccccc12
InChIInChI=1S/C30H31FN2O3/c1-3-16-36-29-15-12-22(9-8-21-10-13-24(31)14-11-21)17-27(29)30(35)32-25(20-34)18-23-19-33(2)28-7-5-4-6-26(23)28/h4-15,17,19,25,34H,3,16,18,20H2,1-2H3,(H,32,35)/t25-/m1/s1
InChIKeyDRQKHKAYFYBPPP-RUZDIDTESA-N
MW486.59 g/mol
LogP5.61
Rot. Bonds10

About 5-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide

5-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide (PubChem CID 69110537) has the molecular formula C30H31FN2O3 and a molecular weight of 486.59 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide
PubChem CID69110537
Molecular FormulaC30H31FN2O3
Molecular Weight486.59 g/mol
Exact Mass486.23
IUPAC Name5-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide
SMILESCCCOc1ccc(C=Cc2ccc(F)cc2)cc1C(=O)N[C@@H](CO)Cc1cn(C)c2ccccc12
InChIInChI=1S/C30H31FN2O3/c1-3-16-36-29-15-12-22(9-8-21-10-13-24(31)14-11-21)17-27(29)30(35)32-25(20-34)18-23-19-33(2)28-7-5-4-6-26(23)28/h4-15,17,19,25,34H,3,16,18,20H2,1-2H3,(H,32,35)/t25-/m1/s1
InChIKeyDRQKHKAYFYBPPP-RUZDIDTESA-N
XLogP5.61
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.59
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide?
The IUPAC name of 5-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide (CID 69110537) is 5-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide.
What is the SMILES notation for 5-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide?
The canonical SMILES for 5-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide is CCCOc1ccc(C=Cc2ccc(F)cc2)cc1C(=O)N[C@@H](CO)Cc1cn(C)c2ccccc12.
What is the InChIKey of 5-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide?
The InChIKey is DRQKHKAYFYBPPP-RUZDIDTESA-N. The full InChI is InChI=1S/C30H31FN2O3/c1-3-16-36-29-15-12-22(9-8-21-10-13-24(31)14-11-21)17-27(29)30(35)32-25(20-34)18-23-19-33(2)28-7-5-4-6-26(23)28/h4-15,17,19,25,34H,3,16,18,20H2,1-2H3,(H,32,35)/t25-/m1/s1.
What are the key properties of 5-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide?
5-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide has a molecular weight of 486.59 g/mol, XLogP of 5.61, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide is sourced from PubChem (CID 69110537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).