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

C21H16F2N2O4 — CID 15981349

IUPAC(3-fluorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate
SMILESO=C(COc1ccc(C(=O)Nc2ccc(F)cc2)cn1)OCc1cccc(F)c1
InChIInChI=1S/C21H16F2N2O4/c22-16-5-7-18(8-6-16)25-21(27)15-4-9-19(24-11-15)28-13-20(26)29-12-14-2-1-3-17(23)10-14/h1-11H,12-13H2,(H,25,27)
InChIKeyKMOKWTXCNPBSHR-UHFFFAOYSA-N
MW398.37 g/mol
LogP3.73
Rot. Bonds7

About (3-fluorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate

(3-fluorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate (PubChem CID 15981349) has the molecular formula C21H16F2N2O4 and a molecular weight of 398.37 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate
PubChem CID15981349
Molecular FormulaC21H16F2N2O4
Molecular Weight398.37 g/mol
Exact Mass398.11
IUPAC Name(3-fluorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate
SMILESO=C(COc1ccc(C(=O)Nc2ccc(F)cc2)cn1)OCc1cccc(F)c1
InChIInChI=1S/C21H16F2N2O4/c22-16-5-7-18(8-6-16)25-21(27)15-4-9-19(24-11-15)28-13-20(26)29-12-14-2-1-3-17(23)10-14/h1-11H,12-13H2,(H,25,27)
InChIKeyKMOKWTXCNPBSHR-UHFFFAOYSA-N
XLogP3.73
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate?
The IUPAC name of (3-fluorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate (CID 15981349) is (3-fluorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate.
What is the SMILES notation for (3-fluorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate?
The canonical SMILES for (3-fluorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate is O=C(COc1ccc(C(=O)Nc2ccc(F)cc2)cn1)OCc1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate?
The InChIKey is KMOKWTXCNPBSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O4/c22-16-5-7-18(8-6-16)25-21(27)15-4-9-19(24-11-15)28-13-20(26)29-12-14-2-1-3-17(23)10-14/h1-11H,12-13H2,(H,25,27).
What are the key properties of (3-fluorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate?
(3-fluorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate has a molecular weight of 398.37 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate is sourced from PubChem (CID 15981349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).