2-(4-chloro-2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide

C16H17ClN2O2 — CID 2862773

IUPAC2-(4-chloro-2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)NCc1cccnc1
InChIInChI=1S/C16H17ClN2O2/c1-11-8-14(17)5-6-15(11)21-12(2)16(20)19-10-13-4-3-7-18-9-13/h3-9,12H,10H2,1-2H3,(H,19,20)
InChIKeyUTGDDQVYJIBIKX-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.13
Rot. Bonds5

About 2-(4-chloro-2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide

2-(4-chloro-2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 2862773) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID2862773
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)NCc1cccnc1
InChIInChI=1S/C16H17ClN2O2/c1-11-8-14(17)5-6-15(11)21-12(2)16(20)19-10-13-4-3-7-18-9-13/h3-9,12H,10H2,1-2H3,(H,19,20)
InChIKeyUTGDDQVYJIBIKX-UHFFFAOYSA-N
XLogP3.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide (CID 2862773) is 2-(4-chloro-2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide is Cc1cc(Cl)ccc1OC(C)C(=O)NCc1cccnc1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is UTGDDQVYJIBIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11-8-14(17)5-6-15(11)21-12(2)16(20)19-10-13-4-3-7-18-9-13/h3-9,12H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide?
2-(4-chloro-2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 304.78 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 2862773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).