2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)-N-propylacetamide

C18H19Cl2NO2 — CID 17321195

IUPAC2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)-N-propylacetamide
SMILESCCCN(C(=O)COc1ccc(Cl)cc1Cl)c1cccc(C)c1
InChIInChI=1S/C18H19Cl2NO2/c1-3-9-21(15-6-4-5-13(2)10-15)18(22)12-23-17-8-7-14(19)11-16(17)20/h4-8,10-11H,3,9,12H2,1-2H3
InChIKeyJJVHCMXYQXVQSS-UHFFFAOYSA-N
MW352.26 g/mol
LogP5.12
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)-N-propylacetamide

2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)-N-propylacetamide (PubChem CID 17321195) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)-N-propylacetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)-N-propylacetamide
PubChem CID17321195
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)-N-propylacetamide
SMILESCCCN(C(=O)COc1ccc(Cl)cc1Cl)c1cccc(C)c1
InChIInChI=1S/C18H19Cl2NO2/c1-3-9-21(15-6-4-5-13(2)10-15)18(22)12-23-17-8-7-14(19)11-16(17)20/h4-8,10-11H,3,9,12H2,1-2H3
InChIKeyJJVHCMXYQXVQSS-UHFFFAOYSA-N
XLogP5.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.26
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(3-methylphenyl)acetamide
CID 112978898
2-(3-chlorophenoxy)-N-ethyl-N-(3-methylphenyl)acetamide
CID 112977302
ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-propylamino]acetate
CID 112843696
N-[2-(2,4-dichlorophenoxy)ethyl]-2-phenoxy-N-phenylacetamide
CID 3374858
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
2-(4-bromo-2-fluorophenoxy)-N-ethyl-N-(3-methylphenyl)acetamide
CID 47024393
ethyl 2-[2-[2-(2,4-dichlorophenoxy)acetyl]-2-methylhydrazinyl]propanoate
CID 171770392
N-butyl-2-[[2-(2,4-dichlorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132717282
2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride
CID 44925028
N-(3-aminopropyl)-2-ethoxy-N-(3-methylphenyl)acetamide
CID 43135951
4-methyl-N-(3-methylphenyl)-N-propylbenzamide
CID 17319549
N-(3-methylphenyl)-4-phenoxy-N-propylbutanamide
CID 17320931

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)-N-propylacetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)-N-propylacetamide (CID 17321195) is 2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)-N-propylacetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)-N-propylacetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)-N-propylacetamide is CCCN(C(=O)COc1ccc(Cl)cc1Cl)c1cccc(C)c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)-N-propylacetamide?
The InChIKey is JJVHCMXYQXVQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-3-9-21(15-6-4-5-13(2)10-15)18(22)12-23-17-8-7-14(19)11-16(17)20/h4-8,10-11H,3,9,12H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)-N-propylacetamide?
2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)-N-propylacetamide has a molecular weight of 352.26 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)-N-propylacetamide is sourced from PubChem (CID 17321195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).