2-cyclopentyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]acetamide

C17H20FN3O2 — CID 51087715

IUPAC2-cyclopentyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]acetamide
SMILESCc1nccn1-c1ccc(NC(=O)COC2CCCC2)cc1F
InChIInChI=1S/C17H20FN3O2/c1-12-19-8-9-21(12)16-7-6-13(10-15(16)18)20-17(22)11-23-14-4-2-3-5-14/h6-10,14H,2-5,11H2,1H3,(H,20,22)
InChIKeyRSRXUOAXBUQWOB-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.22
Rot. Bonds5

About 2-cyclopentyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]acetamide

2-cyclopentyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]acetamide (PubChem CID 51087715) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-cyclopentyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]acetamide
PubChem CID51087715
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name2-cyclopentyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]acetamide
SMILESCc1nccn1-c1ccc(NC(=O)COC2CCCC2)cc1F
InChIInChI=1S/C17H20FN3O2/c1-12-19-8-9-21(12)16-7-6-13(10-15(16)18)20-17(22)11-23-14-4-2-3-5-14/h6-10,14H,2-5,11H2,1H3,(H,20,22)
InChIKeyRSRXUOAXBUQWOB-UHFFFAOYSA-N
XLogP3.22
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-cyclopentyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]acetamide (CID 51087715) is 2-cyclopentyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-cyclopentyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-cyclopentyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]acetamide is Cc1nccn1-c1ccc(NC(=O)COC2CCCC2)cc1F.
What is the InChIKey of 2-cyclopentyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]acetamide?
The InChIKey is RSRXUOAXBUQWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-12-19-8-9-21(12)16-7-6-13(10-15(16)18)20-17(22)11-23-14-4-2-3-5-14/h6-10,14H,2-5,11H2,1H3,(H,20,22).
What are the key properties of 2-cyclopentyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]acetamide?
2-cyclopentyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]acetamide has a molecular weight of 317.36 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 51087715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).