N-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide

C16H14Cl3NO2 — CID 17071205

IUPACN-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C16H14Cl3NO2/c1-10(22-15-6-5-13(18)8-14(15)19)16(21)20-9-11-3-2-4-12(17)7-11/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyACPJVYONOCOGEX-UHFFFAOYSA-N
MW358.65 g/mol
LogP4.73
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide

N-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide (PubChem CID 17071205) has the molecular formula C16H14Cl3NO2 and a molecular weight of 358.65 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide
PubChem CID17071205
Molecular FormulaC16H14Cl3NO2
Molecular Weight358.65 g/mol
Exact Mass357.01
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C16H14Cl3NO2/c1-10(22-15-6-5-13(18)8-14(15)19)16(21)20-9-11-3-2-4-12(17)7-11/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyACPJVYONOCOGEX-UHFFFAOYSA-N
XLogP4.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.65
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(3-chlorophenoxy)acetamide
CID 309594
N-benzyl-2-(4-chlorophenoxy)acetamide
CID 2791617
N-benzyl-2-(2-chlorophenoxy)acetamide
CID 707236
2-(2,4-dichlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2557714
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
N-[2-(2,4-dichlorophenoxy)acetyl]benzamide
CID 8150664
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)propanamide
CID 2899212
N-(3-chlorobenzyl)-2-(2-chlorophenoxy)-N-((R)-pyrrolidin-2-ylmethyl)propanamide
CID 44579802
N-(3-chlorobenzyl)-2-(3-chlorophenoxy)-N-((R)-pyrrolidin-2-ylmethyl)propanamide
CID 44579840
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 695016
2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)acetamide
CID 2218265
[2-[(4-Methoxyphenyl)methylamino]-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 2407942

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide (CID 17071205) is N-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide?
The InChIKey is ACPJVYONOCOGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO2/c1-10(22-15-6-5-13(18)8-14(15)19)16(21)20-9-11-3-2-4-12(17)7-11/h2-8,10H,9H2,1H3,(H,20,21).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide?
N-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide has a molecular weight of 358.65 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide is sourced from PubChem (CID 17071205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).