2-cyano-N-(2-cyclopentyloxy-5-fluorophenyl)acetamide

C14H15FN2O2 — CID 168522226

IUPAC2-cyano-N-(2-cyclopentyloxy-5-fluorophenyl)acetamide
SMILESN#CCC(=O)Nc1cc(F)ccc1OC1CCCC1
InChIInChI=1S/C14H15FN2O2/c15-10-5-6-13(19-11-3-1-2-4-11)12(9-10)17-14(18)7-8-16/h5-6,9,11H,1-4,7H2,(H,17,18)
InChIKeyNQGVXLHGRVMXDG-UHFFFAOYSA-N
MW262.28 g/mol
LogP3.00
Rot. Bonds4

About 2-cyano-N-(2-cyclopentyloxy-5-fluorophenyl)acetamide

2-cyano-N-(2-cyclopentyloxy-5-fluorophenyl)acetamide (PubChem CID 168522226) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-cyano-N-(2-cyclopentyloxy-5-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2-cyclopentyloxy-5-fluorophenyl)acetamide
PubChem CID168522226
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name2-cyano-N-(2-cyclopentyloxy-5-fluorophenyl)acetamide
SMILESN#CCC(=O)Nc1cc(F)ccc1OC1CCCC1
InChIInChI=1S/C14H15FN2O2/c15-10-5-6-13(19-11-3-1-2-4-11)12(9-10)17-14(18)7-8-16/h5-6,9,11H,1-4,7H2,(H,17,18)
InChIKeyNQGVXLHGRVMXDG-UHFFFAOYSA-N
XLogP3.00
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-cyclopentyloxy-5-fluorophenyl)acetamide?
The IUPAC name of 2-cyano-N-(2-cyclopentyloxy-5-fluorophenyl)acetamide (CID 168522226) is 2-cyano-N-(2-cyclopentyloxy-5-fluorophenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(2-cyclopentyloxy-5-fluorophenyl)acetamide?
The canonical SMILES for 2-cyano-N-(2-cyclopentyloxy-5-fluorophenyl)acetamide is N#CCC(=O)Nc1cc(F)ccc1OC1CCCC1.
What is the InChIKey of 2-cyano-N-(2-cyclopentyloxy-5-fluorophenyl)acetamide?
The InChIKey is NQGVXLHGRVMXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c15-10-5-6-13(19-11-3-1-2-4-11)12(9-10)17-14(18)7-8-16/h5-6,9,11H,1-4,7H2,(H,17,18).
What are the key properties of 2-cyano-N-(2-cyclopentyloxy-5-fluorophenyl)acetamide?
2-cyano-N-(2-cyclopentyloxy-5-fluorophenyl)acetamide has a molecular weight of 262.28 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-cyclopentyloxy-5-fluorophenyl)acetamide is sourced from PubChem (CID 168522226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).