2-(4-fluorophenyl)-N-methoxy-3-thiophen-2-ylpropanamide

C14H14FNO2S — CID 110618046

IUPAC2-(4-fluorophenyl)-N-methoxy-3-thiophen-2-ylpropanamide
SMILESCONC(=O)C(Cc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO2S/c1-18-16-14(17)13(9-12-3-2-8-19-12)10-4-6-11(15)7-5-10/h2-8,13H,9H2,1H3,(H,16,17)
InChIKeyDXOIPLFJMHYCGK-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.89
Rot. Bonds5

About 2-(4-fluorophenyl)-N-methoxy-3-thiophen-2-ylpropanamide

2-(4-fluorophenyl)-N-methoxy-3-thiophen-2-ylpropanamide (PubChem CID 110618046) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methoxy-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methoxy-3-thiophen-2-ylpropanamide
PubChem CID110618046
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Name2-(4-fluorophenyl)-N-methoxy-3-thiophen-2-ylpropanamide
SMILESCONC(=O)C(Cc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO2S/c1-18-16-14(17)13(9-12-3-2-8-19-12)10-4-6-11(15)7-5-10/h2-8,13H,9H2,1H3,(H,16,17)
InChIKeyDXOIPLFJMHYCGK-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methoxy-3-thiophen-2-ylpropanamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methoxy-3-thiophen-2-ylpropanamide (CID 110618046) is 2-(4-fluorophenyl)-N-methoxy-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methoxy-3-thiophen-2-ylpropanamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methoxy-3-thiophen-2-ylpropanamide is CONC(=O)C(Cc1cccs1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-methoxy-3-thiophen-2-ylpropanamide?
The InChIKey is DXOIPLFJMHYCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-18-16-14(17)13(9-12-3-2-8-19-12)10-4-6-11(15)7-5-10/h2-8,13H,9H2,1H3,(H,16,17).
What are the key properties of 2-(4-fluorophenyl)-N-methoxy-3-thiophen-2-ylpropanamide?
2-(4-fluorophenyl)-N-methoxy-3-thiophen-2-ylpropanamide has a molecular weight of 279.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methoxy-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110618046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).