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

C16H14Cl2FNO2 — CID 2896062

IUPAC2-(2,4-dichlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H14Cl2FNO2/c1-10(22-15-7-4-12(17)8-14(15)18)16(21)20-9-11-2-5-13(19)6-3-11/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyPCFCEWSQHINEPG-UHFFFAOYSA-N
MW342.20 g/mol
LogP4.22
Rot. Bonds5

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

2-(2,4-dichlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 2896062) has the molecular formula C16H14Cl2FNO2 and a molecular weight of 342.20 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID2896062
Molecular FormulaC16H14Cl2FNO2
Molecular Weight342.20 g/mol
Exact Mass341.04
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H14Cl2FNO2/c1-10(22-15-7-4-12(17)8-14(15)18)16(21)20-9-11-2-5-13(19)6-3-11/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyPCFCEWSQHINEPG-UHFFFAOYSA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 54.22
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-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-[2-(1-cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 695016
2-chloro-N-[2-(2-chlorophenoxy)ethyl]-4,5-difluorobenzamide
CID 1839890
2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)acetamide
CID 2218265
[2-[(4-Methoxyphenyl)methylamino]-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 2407942
2-(2-chloro-4-fluorophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methyl]acetamide
CID 2539740

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide (CID 2896062) is 2-(2,4-dichlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is PCFCEWSQHINEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO2/c1-10(22-15-7-4-12(17)8-14(15)18)16(21)20-9-11-2-5-13(19)6-3-11/h2-8,10H,9H2,1H3,(H,20,21).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide?
2-(2,4-dichlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 342.20 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 2896062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).