2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]acetamide

C17H16Cl2FNO2 — CID 99993663

IUPAC2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCCc1ccc(F)cc1
InChIInChI=1S/C17H16Cl2FNO2/c18-13-5-8-16(15(19)10-13)23-11-17(22)21-9-1-2-12-3-6-14(20)7-4-12/h3-8,10H,1-2,9,11H2,(H,21,22)
InChIKeyACCTVGDGGUMYJX-UHFFFAOYSA-N
MW356.22 g/mol
LogP4.26
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]acetamide

2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]acetamide (PubChem CID 99993663) has the molecular formula C17H16Cl2FNO2 and a molecular weight of 356.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]acetamide
PubChem CID99993663
Molecular FormulaC17H16Cl2FNO2
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC Name2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCCc1ccc(F)cc1
InChIInChI=1S/C17H16Cl2FNO2/c18-13-5-8-16(15(19)10-13)23-11-17(22)21-9-1-2-12-3-6-14(20)7-4-12/h3-8,10H,1-2,9,11H2,(H,21,22)
InChIKeyACCTVGDGGUMYJX-UHFFFAOYSA-N
XLogP4.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7975078
2-(2,4-dichlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 99993692
3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide
CID 108541625
2-(2,4-dichlorophenoxy)-N-[3-(4-morpholin-4-ylphenyl)propyl]acetamide
CID 16890044
N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide
CID 39401573
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 9427637
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 2500780
N-[4-(3-aminopropylamino)butyl]-2-(2,4-dichlorophenoxy)acetamide
CID 14751497
2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119429515
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
2-(2,4-dichlorophenoxy)-N-(6-oxohexyl)acetamide
CID 89195114

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]acetamide (CID 99993663) is 2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]acetamide is O=C(COc1ccc(Cl)cc1Cl)NCCCc1ccc(F)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]acetamide?
The InChIKey is ACCTVGDGGUMYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FNO2/c18-13-5-8-16(15(19)10-13)23-11-17(22)21-9-1-2-12-3-6-14(20)7-4-12/h3-8,10H,1-2,9,11H2,(H,21,22).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]acetamide has a molecular weight of 356.22 g/mol, XLogP of 4.26, 7 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-[3-(4-fluorophenyl)propyl]acetamide is sourced from PubChem (CID 99993663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).