phenyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate

C20H15FN2O4 — CID 15980830

IUPACphenyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate
SMILESO=C(COc1ccc(C(=O)Nc2ccc(F)cc2)cn1)Oc1ccccc1
InChIInChI=1S/C20H15FN2O4/c21-15-7-9-16(10-8-15)23-20(25)14-6-11-18(22-12-14)26-13-19(24)27-17-4-2-1-3-5-17/h1-12H,13H2,(H,23,25)
InChIKeyVOAPNZIKRKHEHR-UHFFFAOYSA-N
MW366.35 g/mol
LogP3.46
Rot. Bonds6

About phenyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate

phenyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate (PubChem CID 15980830) has the molecular formula C20H15FN2O4 and a molecular weight of 366.35 g/mol. Its IUPAC name is phenyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate.

Molecular Properties

Compound Namephenyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate
PubChem CID15980830
Molecular FormulaC20H15FN2O4
Molecular Weight366.35 g/mol
Exact Mass366.10
IUPAC Namephenyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate
SMILESO=C(COc1ccc(C(=O)Nc2ccc(F)cc2)cn1)Oc1ccccc1
InChIInChI=1S/C20H15FN2O4/c21-15-7-9-16(10-8-15)23-20(25)14-6-11-18(22-12-14)26-13-19(24)27-17-4-2-1-3-5-17/h1-12H,13H2,(H,23,25)
InChIKeyVOAPNZIKRKHEHR-UHFFFAOYSA-N
XLogP3.46
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate?
The IUPAC name of phenyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate (CID 15980830) is phenyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate.
What is the SMILES notation for phenyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate?
The canonical SMILES for phenyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate is O=C(COc1ccc(C(=O)Nc2ccc(F)cc2)cn1)Oc1ccccc1.
What is the InChIKey of phenyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate?
The InChIKey is VOAPNZIKRKHEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O4/c21-15-7-9-16(10-8-15)23-20(25)14-6-11-18(22-12-14)26-13-19(24)27-17-4-2-1-3-5-17/h1-12H,13H2,(H,23,25).
What are the key properties of phenyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate?
phenyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate has a molecular weight of 366.35 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate is sourced from PubChem (CID 15980830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).