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

C21H17FN2O4 — CID 15981348

IUPACbenzyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate
SMILESO=C(COc1ccc(C(=O)Nc2ccc(F)cc2)cn1)OCc1ccccc1
InChIInChI=1S/C21H17FN2O4/c22-17-7-9-18(10-8-17)24-21(26)16-6-11-19(23-12-16)27-14-20(25)28-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,24,26)
InChIKeyAPDVPDFSMORZLD-UHFFFAOYSA-N
MW380.38 g/mol
LogP3.60
Rot. Bonds7

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

benzyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate (PubChem CID 15981348) has the molecular formula C21H17FN2O4 and a molecular weight of 380.38 g/mol. Its IUPAC name is benzyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate.

Molecular Properties

Compound Namebenzyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate
PubChem CID15981348
Molecular FormulaC21H17FN2O4
Molecular Weight380.38 g/mol
Exact Mass380.12
IUPAC Namebenzyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate
SMILESO=C(COc1ccc(C(=O)Nc2ccc(F)cc2)cn1)OCc1ccccc1
InChIInChI=1S/C21H17FN2O4/c22-17-7-9-18(10-8-17)24-21(26)16-6-11-19(23-12-16)27-14-20(25)28-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,24,26)
InChIKeyAPDVPDFSMORZLD-UHFFFAOYSA-N
XLogP3.60
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate?
The IUPAC name of benzyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate (CID 15981348) is benzyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate.
What is the SMILES notation for benzyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate?
The canonical SMILES for benzyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate is O=C(COc1ccc(C(=O)Nc2ccc(F)cc2)cn1)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate?
The InChIKey is APDVPDFSMORZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O4/c22-17-7-9-18(10-8-17)24-21(26)16-6-11-19(23-12-16)27-14-20(25)28-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,24,26).
What are the key properties of benzyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate?
benzyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate has a molecular weight of 380.38 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate is sourced from PubChem (CID 15981348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).