2-(2,4-dichlorophenoxy)-N-(pyridin-4-ylmethyl)propanamide

C15H14Cl2N2O2 — CID 3829743

IUPAC2-(2,4-dichlorophenoxy)-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccncc1
InChIInChI=1S/C15H14Cl2N2O2/c1-10(21-14-3-2-12(16)8-13(14)17)15(20)19-9-11-4-6-18-7-5-11/h2-8,10H,9H2,1H3,(H,19,20)
InChIKeyUVZHHILDYPCOAJ-UHFFFAOYSA-N
MW325.19 g/mol
LogP3.47
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-(pyridin-4-ylmethyl)propanamide

2-(2,4-dichlorophenoxy)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 3829743) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.19 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID3829743
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.19 g/mol
Exact Mass324.04
IUPAC Name2-(2,4-dichlorophenoxy)-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccncc1
InChIInChI=1S/C15H14Cl2N2O2/c1-10(21-14-3-2-12(16)8-13(14)17)15(20)19-9-11-4-6-18-7-5-11/h2-8,10H,9H2,1H3,(H,19,20)
InChIKeyUVZHHILDYPCOAJ-UHFFFAOYSA-N
XLogP3.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenoxy)-N-(3-pyridinylmethyl)propanamide
CID 2977532
2-(4-Chloro-3-methyl-phenoxy)-N-pyridin-4-yl-acetamide
CID 831713
N'-[2-(2,4-dichlorophenoxy)acetyl]pyridine-3-carbohydrazide
CID 836901
2-(4-Chloro-3,5-dimethyl-phenoxy)-N-pyridin-4-yl-acetamide
CID 1082799
4-(2,4-dichlorophenoxy)-N-(pyridin-4-ylmethyl)butanamide
CID 1830297
2-(2-chloro-5-methylphenoxy)-N-pyridin-3-ylacetamide
CID 2225343
2-(4-chlorophenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 2572372
N-(3-{[2-(2-chlorophenoxy)acetyl]amino}propyl)nicotinamide
CID 2992561
2-(4-chloro-3-methylphenoxy)-N-4-pyridinylpropanamide
CID 2995692
2-(4-chloro-2-methylphenoxy)-N-(pyridin-3-yl)acetamide
CID 3146340
2-(4-Chloro-3-methyl-phenoxy)-N-pyridin-3-yl-propionamide
CID 4206958
2-(2,4-dichlorophenoxy)-N-pyridin-2-ylacetamide
CID 792334

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(pyridin-4-ylmethyl)propanamide (CID 3829743) is 2-(2,4-dichlorophenoxy)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(pyridin-4-ylmethyl)propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccncc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is UVZHHILDYPCOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-10(21-14-3-2-12(16)8-13(14)17)15(20)19-9-11-4-6-18-7-5-11/h2-8,10H,9H2,1H3,(H,19,20).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(pyridin-4-ylmethyl)propanamide?
2-(2,4-dichlorophenoxy)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 325.19 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 3829743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).