2-(5-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide

C16H16FN3O2 — CID 146631220

IUPAC2-(5-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide
SMILESC=CC(=O)N1CC(NC(=O)Cn2ccc3cc(F)ccc32)C1
InChIInChI=1S/C16H16FN3O2/c1-2-16(22)20-8-13(9-20)18-15(21)10-19-6-5-11-7-12(17)3-4-14(11)19/h2-7,13H,1,8-10H2,(H,18,21)
InChIKeyZROQXSXHRJZSFF-UHFFFAOYSA-N
MW301.32 g/mol
LogP1.29
Rot. Bonds4

About 2-(5-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide

2-(5-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide (PubChem CID 146631220) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-(5-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide
PubChem CID146631220
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name2-(5-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide
SMILESC=CC(=O)N1CC(NC(=O)Cn2ccc3cc(F)ccc32)C1
InChIInChI=1S/C16H16FN3O2/c1-2-16(22)20-8-13(9-20)18-15(21)10-19-6-5-11-7-12(17)3-4-14(11)19/h2-7,13H,1,8-10H2,(H,18,21)
InChIKeyZROQXSXHRJZSFF-UHFFFAOYSA-N
XLogP1.29
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide?
The IUPAC name of 2-(5-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide (CID 146631220) is 2-(5-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide.
What is the SMILES notation for 2-(5-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide?
The canonical SMILES for 2-(5-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide is C=CC(=O)N1CC(NC(=O)Cn2ccc3cc(F)ccc32)C1.
What is the InChIKey of 2-(5-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide?
The InChIKey is ZROQXSXHRJZSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-2-16(22)20-8-13(9-20)18-15(21)10-19-6-5-11-7-12(17)3-4-14(11)19/h2-7,13H,1,8-10H2,(H,18,21).
What are the key properties of 2-(5-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide?
2-(5-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide has a molecular weight of 301.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide is sourced from PubChem (CID 146631220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).