2-(2-chlorophenoxy)-3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(2-methoxyethyl)propanamide

C19H18Cl2F3NO4 — CID 20559815

IUPAC2-(2-chlorophenoxy)-3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(COc1ccc(C(F)(F)F)cc1Cl)Oc1ccccc1Cl
InChIInChI=1S/C19H18Cl2F3NO4/c1-27-9-8-25-18(26)17(29-16-5-3-2-4-13(16)20)11-28-15-7-6-12(10-14(15)21)19(22,23)24/h2-7,10,17H,8-9,11H2,1H3,(H,25,26)
InChIKeyCHHWWUCILSRXDQ-UHFFFAOYSA-N
MW452.26 g/mol
LogP4.60
Rot. Bonds9

About 2-(2-chlorophenoxy)-3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(2-methoxyethyl)propanamide

2-(2-chlorophenoxy)-3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(2-methoxyethyl)propanamide (PubChem CID 20559815) has the molecular formula C19H18Cl2F3NO4 and a molecular weight of 452.26 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(2-methoxyethyl)propanamide
PubChem CID20559815
Molecular FormulaC19H18Cl2F3NO4
Molecular Weight452.26 g/mol
Exact Mass451.06
IUPAC Name2-(2-chlorophenoxy)-3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(COc1ccc(C(F)(F)F)cc1Cl)Oc1ccccc1Cl
InChIInChI=1S/C19H18Cl2F3NO4/c1-27-9-8-25-18(26)17(29-16-5-3-2-4-13(16)20)11-28-15-7-6-12(10-14(15)21)19(22,23)24/h2-7,10,17H,8-9,11H2,1H3,(H,25,26)
InChIKeyCHHWWUCILSRXDQ-UHFFFAOYSA-N
XLogP4.60
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.26
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(2-methoxyethyl)propanamide (CID 20559815) is 2-(2-chlorophenoxy)-3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(COc1ccc(C(F)(F)F)cc1Cl)Oc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(2-methoxyethyl)propanamide?
The InChIKey is CHHWWUCILSRXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2F3NO4/c1-27-9-8-25-18(26)17(29-16-5-3-2-4-13(16)20)11-28-15-7-6-12(10-14(15)21)19(22,23)24/h2-7,10,17H,8-9,11H2,1H3,(H,25,26).
What are the key properties of 2-(2-chlorophenoxy)-3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(2-methoxyethyl)propanamide?
2-(2-chlorophenoxy)-3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(2-methoxyethyl)propanamide has a molecular weight of 452.26 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 20559815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).