2-(2,4-dichlorophenoxy)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide

C17H14Cl2F3NO3 — CID 30865962

IUPAC2-(2,4-dichlorophenoxy)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14Cl2F3NO3/c18-12-4-5-15(14(19)9-12)26-10-16(24)23-6-7-25-13-3-1-2-11(8-13)17(20,21)22/h1-5,8-9H,6-7,10H2,(H,23,24)
InChIKeyJOHNVXACUFGUSU-UHFFFAOYSA-N
MW408.20 g/mol
LogP4.59
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide

2-(2,4-dichlorophenoxy)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide (PubChem CID 30865962) has the molecular formula C17H14Cl2F3NO3 and a molecular weight of 408.20 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide
PubChem CID30865962
Molecular FormulaC17H14Cl2F3NO3
Molecular Weight408.20 g/mol
Exact Mass407.03
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14Cl2F3NO3/c18-12-4-5-15(14(19)9-12)26-10-16(24)23-6-7-25-13-3-1-2-11(8-13)17(20,21)22/h1-5,8-9H,6-7,10H2,(H,23,24)
InChIKeyJOHNVXACUFGUSU-UHFFFAOYSA-N
XLogP4.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.20
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-isopropylacetamide
CID 883710
N-benzyl-2-(2-chlorophenoxy)acetamide
CID 707236
2-(2,4-dichlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2557714
2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide
CID 684074
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)propanamide
CID 2899212
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 695016
2-(4-chloro-3-methylphenoxy)-N-(2-hydroxyethyl)acetamide
CID 2183921
2-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)acetamide
CID 2218265
ST50927240
CID 1377323
2-(2,4-dichlorophenoxy)-N-(4-methylbenzyl)propanamide
CID 2886293
2-(2,4-dichlorophenoxy)-N-(4-fluorobenzyl)propanamide
CID 2896062
N-[(2-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide
CID 3120265

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide (CID 30865962) is 2-(2,4-dichlorophenoxy)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide is O=C(COc1ccc(Cl)cc1Cl)NCCOc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide?
The InChIKey is JOHNVXACUFGUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F3NO3/c18-12-4-5-15(14(19)9-12)26-10-16(24)23-6-7-25-13-3-1-2-11(8-13)17(20,21)22/h1-5,8-9H,6-7,10H2,(H,23,24).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide has a molecular weight of 408.20 g/mol, XLogP of 4.59, 7 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-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide is sourced from PubChem (CID 30865962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).