4-(4-fluorophenyl)-5-formamido-2-phenylmethoxypentanoic acid

C19H20FNO4 — CID 57428193

IUPAC4-(4-fluorophenyl)-5-formamido-2-phenylmethoxypentanoic acid
SMILESO=CNCC(CC(OCc1ccccc1)C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C19H20FNO4/c20-17-8-6-15(7-9-17)16(11-21-13-22)10-18(19(23)24)25-12-14-4-2-1-3-5-14/h1-9,13,16,18H,10-12H2,(H,21,22)(H,23,24)
InChIKeyFIKNFHYSIIYACK-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.72
Rot. Bonds10

About 4-(4-fluorophenyl)-5-formamido-2-phenylmethoxypentanoic acid

4-(4-fluorophenyl)-5-formamido-2-phenylmethoxypentanoic acid (PubChem CID 57428193) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-formamido-2-phenylmethoxypentanoic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-formamido-2-phenylmethoxypentanoic acid
PubChem CID57428193
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name4-(4-fluorophenyl)-5-formamido-2-phenylmethoxypentanoic acid
SMILESO=CNCC(CC(OCc1ccccc1)C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C19H20FNO4/c20-17-8-6-15(7-9-17)16(11-21-13-22)10-18(19(23)24)25-12-14-4-2-1-3-5-14/h1-9,13,16,18H,10-12H2,(H,21,22)(H,23,24)
InChIKeyFIKNFHYSIIYACK-UHFFFAOYSA-N
XLogP2.72
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-formamido-2-phenylmethoxypentanoic acid?
The IUPAC name of 4-(4-fluorophenyl)-5-formamido-2-phenylmethoxypentanoic acid (CID 57428193) is 4-(4-fluorophenyl)-5-formamido-2-phenylmethoxypentanoic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-5-formamido-2-phenylmethoxypentanoic acid?
The canonical SMILES for 4-(4-fluorophenyl)-5-formamido-2-phenylmethoxypentanoic acid is O=CNCC(CC(OCc1ccccc1)C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-formamido-2-phenylmethoxypentanoic acid?
The InChIKey is FIKNFHYSIIYACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c20-17-8-6-15(7-9-17)16(11-21-13-22)10-18(19(23)24)25-12-14-4-2-1-3-5-14/h1-9,13,16,18H,10-12H2,(H,21,22)(H,23,24).
What are the key properties of 4-(4-fluorophenyl)-5-formamido-2-phenylmethoxypentanoic acid?
4-(4-fluorophenyl)-5-formamido-2-phenylmethoxypentanoic acid has a molecular weight of 345.37 g/mol, XLogP of 2.72, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-formamido-2-phenylmethoxypentanoic acid is sourced from PubChem (CID 57428193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).