2-(3-fluoro-4-methoxyphenyl)-N-(3-indol-1-ylpropyl)acetamide

C20H21FN2O2 — CID 17482901

IUPAC2-(3-fluoro-4-methoxyphenyl)-N-(3-indol-1-ylpropyl)acetamide
SMILESCOc1ccc(CC(=O)NCCCn2ccc3ccccc32)cc1F
InChIInChI=1S/C20H21FN2O2/c1-25-19-8-7-15(13-17(19)21)14-20(24)22-10-4-11-23-12-9-16-5-2-3-6-18(16)23/h2-3,5-9,12-13H,4,10-11,14H2,1H3,(H,22,24)
InChIKeyGCVXCFZTMQHWOO-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.54
Rot. Bonds7

About 2-(3-fluoro-4-methoxyphenyl)-N-(3-indol-1-ylpropyl)acetamide

2-(3-fluoro-4-methoxyphenyl)-N-(3-indol-1-ylpropyl)acetamide (PubChem CID 17482901) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-N-(3-indol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-N-(3-indol-1-ylpropyl)acetamide
PubChem CID17482901
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-N-(3-indol-1-ylpropyl)acetamide
SMILESCOc1ccc(CC(=O)NCCCn2ccc3ccccc32)cc1F
InChIInChI=1S/C20H21FN2O2/c1-25-19-8-7-15(13-17(19)21)14-20(24)22-10-4-11-23-12-9-16-5-2-3-6-18(16)23/h2-3,5-9,12-13H,4,10-11,14H2,1H3,(H,22,24)
InChIKeyGCVXCFZTMQHWOO-UHFFFAOYSA-N
XLogP3.54
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-(3-indol-1-ylpropyl)acetamide?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-(3-indol-1-ylpropyl)acetamide (CID 17482901) is 2-(3-fluoro-4-methoxyphenyl)-N-(3-indol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-N-(3-indol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-N-(3-indol-1-ylpropyl)acetamide is COc1ccc(CC(=O)NCCCn2ccc3ccccc32)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-N-(3-indol-1-ylpropyl)acetamide?
The InChIKey is GCVXCFZTMQHWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-25-19-8-7-15(13-17(19)21)14-20(24)22-10-4-11-23-12-9-16-5-2-3-6-18(16)23/h2-3,5-9,12-13H,4,10-11,14H2,1H3,(H,22,24).
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-N-(3-indol-1-ylpropyl)acetamide?
2-(3-fluoro-4-methoxyphenyl)-N-(3-indol-1-ylpropyl)acetamide has a molecular weight of 340.40 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-N-(3-indol-1-ylpropyl)acetamide is sourced from PubChem (CID 17482901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).