N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-cyclopent-2-en-1-ylacetamide

C14H17ClN2O2 — CID 75380874

IUPACN-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-cyclopent-2-en-1-ylacetamide
SMILESO=C(CC1C=CCC1)NCCOc1ncccc1Cl
InChIInChI=1S/C14H17ClN2O2/c15-12-6-3-7-17-14(12)19-9-8-16-13(18)10-11-4-1-2-5-11/h1,3-4,6-7,11H,2,5,8-10H2,(H,16,18)
InChIKeyOEXKVDXCEMMELY-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.59
Rot. Bonds6

About N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-cyclopent-2-en-1-ylacetamide

N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-cyclopent-2-en-1-ylacetamide (PubChem CID 75380874) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-cyclopent-2-en-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-cyclopent-2-en-1-ylacetamide
PubChem CID75380874
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC NameN-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-cyclopent-2-en-1-ylacetamide
SMILESO=C(CC1C=CCC1)NCCOc1ncccc1Cl
InChIInChI=1S/C14H17ClN2O2/c15-12-6-3-7-17-14(12)19-9-8-16-13(18)10-11-4-1-2-5-11/h1,3-4,6-7,11H,2,5,8-10H2,(H,16,18)
InChIKeyOEXKVDXCEMMELY-UHFFFAOYSA-N
XLogP2.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-cyclopent-2-en-1-ylacetamide?
The IUPAC name of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-cyclopent-2-en-1-ylacetamide (CID 75380874) is N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-cyclopent-2-en-1-ylacetamide.
What is the SMILES notation for N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-cyclopent-2-en-1-ylacetamide?
The canonical SMILES for N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-cyclopent-2-en-1-ylacetamide is O=C(CC1C=CCC1)NCCOc1ncccc1Cl.
What is the InChIKey of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-cyclopent-2-en-1-ylacetamide?
The InChIKey is OEXKVDXCEMMELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c15-12-6-3-7-17-14(12)19-9-8-16-13(18)10-11-4-1-2-5-11/h1,3-4,6-7,11H,2,5,8-10H2,(H,16,18).
What are the key properties of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-cyclopent-2-en-1-ylacetamide?
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-cyclopent-2-en-1-ylacetamide has a molecular weight of 280.75 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-cyclopent-2-en-1-ylacetamide is sourced from PubChem (CID 75380874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).