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

C20H21FN2O4 — CID 15981347

IUPACcyclohexyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate
SMILESO=C(COc1ccc(C(=O)Nc2ccc(F)cc2)cn1)OC1CCCCC1
InChIInChI=1S/C20H21FN2O4/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/h6-12,17H,1-5,13H2,(H,23,25)
InChIKeyZMLPGOTZQCYELQ-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.73
Rot. Bonds6

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

cyclohexyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate (PubChem CID 15981347) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is cyclohexyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate.

Molecular Properties

Compound Namecyclohexyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate
PubChem CID15981347
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Namecyclohexyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate
SMILESO=C(COc1ccc(C(=O)Nc2ccc(F)cc2)cn1)OC1CCCCC1
InChIInChI=1S/C20H21FN2O4/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/h6-12,17H,1-5,13H2,(H,23,25)
InChIKeyZMLPGOTZQCYELQ-UHFFFAOYSA-N
XLogP3.73
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cyclohexyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate?
The IUPAC name of cyclohexyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate (CID 15981347) is cyclohexyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate.
What is the SMILES notation for cyclohexyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate?
The canonical SMILES for cyclohexyl 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 cyclohexyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate?
The InChIKey is ZMLPGOTZQCYELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/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/h6-12,17H,1-5,13H2,(H,23,25).
What are the key properties of cyclohexyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate?
cyclohexyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate has a molecular weight of 372.40 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate is sourced from PubChem (CID 15981347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).