N-(5-chloro-2-pyridinyl)-2-(4-ethoxyphenoxy)acetamide

C15H15ClN2O3 — CID 34135089

IUPACN-(5-chloro-2-pyridinyl)-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C15H15ClN2O3/c1-2-20-12-4-6-13(7-5-12)21-10-15(19)18-14-8-3-11(16)9-17-14/h3-9H,2,10H2,1H3,(H,17,18,19)
InChIKeyHRYGIKJPWYHCAW-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.15
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-2-(4-ethoxyphenoxy)acetamide

N-(5-chloro-2-pyridinyl)-2-(4-ethoxyphenoxy)acetamide (PubChem CID 34135089) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-(4-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-(4-ethoxyphenoxy)acetamide
PubChem CID34135089
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC NameN-(5-chloro-2-pyridinyl)-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C15H15ClN2O3/c1-2-20-12-4-6-13(7-5-12)21-10-15(19)18-14-8-3-11(16)9-17-14/h3-9H,2,10H2,1H3,(H,17,18,19)
InChIKeyHRYGIKJPWYHCAW-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-(4-ethoxyphenoxy)acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-(4-ethoxyphenoxy)acetamide (CID 34135089) is N-(5-chloro-2-pyridinyl)-2-(4-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-(4-ethoxyphenoxy)acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-(4-ethoxyphenoxy)acetamide is CCOc1ccc(OCC(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-(4-ethoxyphenoxy)acetamide?
The InChIKey is HRYGIKJPWYHCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-2-20-12-4-6-13(7-5-12)21-10-15(19)18-14-8-3-11(16)9-17-14/h3-9H,2,10H2,1H3,(H,17,18,19).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-(4-ethoxyphenoxy)acetamide?
N-(5-chloro-2-pyridinyl)-2-(4-ethoxyphenoxy)acetamide has a molecular weight of 306.75 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-(4-ethoxyphenoxy)acetamide is sourced from PubChem (CID 34135089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).