N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-ethoxyacetamide

C15H15ClN2O3 — CID 71994232

IUPACN-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1
InChIInChI=1S/C15H15ClN2O3/c1-2-20-10-14(19)18-12-4-6-13(7-5-12)21-15-8-3-11(16)9-17-15/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyJWOWKXYGHRZWGO-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.50
Rot. Bonds6

About N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-ethoxyacetamide

N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-ethoxyacetamide (PubChem CID 71994232) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-ethoxyacetamide
PubChem CID71994232
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC NameN-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1
InChIInChI=1S/C15H15ClN2O3/c1-2-20-10-14(19)18-12-4-6-13(7-5-12)21-15-8-3-11(16)9-17-15/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyJWOWKXYGHRZWGO-UHFFFAOYSA-N
XLogP3.50
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-ethoxyacetamide?
The IUPAC name of N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-ethoxyacetamide (CID 71994232) is N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-ethoxyacetamide?
The canonical SMILES for N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-ethoxyacetamide is CCOCC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1.
What is the InChIKey of N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-ethoxyacetamide?
The InChIKey is JWOWKXYGHRZWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-2-20-10-14(19)18-12-4-6-13(7-5-12)21-15-8-3-11(16)9-17-15/h3-9H,2,10H2,1H3,(H,18,19).
What are the key properties of N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-ethoxyacetamide?
N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-ethoxyacetamide has a molecular weight of 306.75 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-ethoxyacetamide is sourced from PubChem (CID 71994232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).