2-(azetidin-3-ylidene)-N-(4-ethoxy-3-fluorophenyl)propanamide

C14H17FN2O2 — CID 116678876

IUPAC2-(azetidin-3-ylidene)-N-(4-ethoxy-3-fluorophenyl)propanamide
SMILESCCOc1ccc(NC(=O)C(C)=C2CNC2)cc1F
InChIInChI=1S/C14H17FN2O2/c1-3-19-13-5-4-11(6-12(13)15)17-14(18)9(2)10-7-16-8-10/h4-6,16H,3,7-8H2,1-2H3,(H,17,18)
InChIKeyURMTXGHFQNHLNQ-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.08
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-(4-ethoxy-3-fluorophenyl)propanamide

2-(azetidin-3-ylidene)-N-(4-ethoxy-3-fluorophenyl)propanamide (PubChem CID 116678876) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(4-ethoxy-3-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(4-ethoxy-3-fluorophenyl)propanamide
PubChem CID116678876
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name2-(azetidin-3-ylidene)-N-(4-ethoxy-3-fluorophenyl)propanamide
SMILESCCOc1ccc(NC(=O)C(C)=C2CNC2)cc1F
InChIInChI=1S/C14H17FN2O2/c1-3-19-13-5-4-11(6-12(13)15)17-14(18)9(2)10-7-16-8-10/h4-6,16H,3,7-8H2,1-2H3,(H,17,18)
InChIKeyURMTXGHFQNHLNQ-UHFFFAOYSA-N
XLogP2.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
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-(azetidin-3-ylidene)-N-(4-ethoxy-3-fluorophenyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(4-ethoxy-3-fluorophenyl)propanamide (CID 116678876) is 2-(azetidin-3-ylidene)-N-(4-ethoxy-3-fluorophenyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(4-ethoxy-3-fluorophenyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(4-ethoxy-3-fluorophenyl)propanamide is CCOc1ccc(NC(=O)C(C)=C2CNC2)cc1F.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(4-ethoxy-3-fluorophenyl)propanamide?
The InChIKey is URMTXGHFQNHLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-3-19-13-5-4-11(6-12(13)15)17-14(18)9(2)10-7-16-8-10/h4-6,16H,3,7-8H2,1-2H3,(H,17,18).
What are the key properties of 2-(azetidin-3-ylidene)-N-(4-ethoxy-3-fluorophenyl)propanamide?
2-(azetidin-3-ylidene)-N-(4-ethoxy-3-fluorophenyl)propanamide has a molecular weight of 264.30 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(4-ethoxy-3-fluorophenyl)propanamide is sourced from PubChem (CID 116678876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).