2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylpropanamide

C15H15ClN2O2 — CID 4206958

IUPAC2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylpropanamide
SMILESCc1cc(OC(C)C(=O)Nc2cccnc2)ccc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-10-8-13(5-6-14(10)16)20-11(2)15(19)18-12-4-3-7-17-9-12/h3-9,11H,1-2H3,(H,18,19)
InChIKeyIZCOABSPMMOLSD-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.45
Rot. Bonds4

About 2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylpropanamide

2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylpropanamide (PubChem CID 4206958) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylpropanamide
PubChem CID4206958
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylpropanamide
SMILESCc1cc(OC(C)C(=O)Nc2cccnc2)ccc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-10-8-13(5-6-14(10)16)20-11(2)15(19)18-12-4-3-7-17-9-12/h3-9,11H,1-2H3,(H,18,19)
InChIKeyIZCOABSPMMOLSD-UHFFFAOYSA-N
XLogP3.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylpropanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylpropanamide (CID 4206958) is 2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylpropanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylpropanamide is Cc1cc(OC(C)C(=O)Nc2cccnc2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylpropanamide?
The InChIKey is IZCOABSPMMOLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10-8-13(5-6-14(10)16)20-11(2)15(19)18-12-4-3-7-17-9-12/h3-9,11H,1-2H3,(H,18,19).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylpropanamide?
2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylpropanamide has a molecular weight of 290.75 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 4206958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).