3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-methyl-2-phenoxypropanamide

C17H14Cl2F3NO3 — CID 70568807

IUPAC3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-methyl-2-phenoxypropanamide
SMILESCNC(=O)C(COc1c(Cl)cc(C(F)(F)F)cc1Cl)Oc1ccccc1
InChIInChI=1S/C17H14Cl2F3NO3/c1-23-16(24)14(26-11-5-3-2-4-6-11)9-25-15-12(18)7-10(8-13(15)19)17(20,21)22/h2-8,14H,9H2,1H3,(H,23,24)
InChIKeyLBKYFCTWGCDZHR-UHFFFAOYSA-N
MW408.20 g/mol
LogP4.58
Rot. Bonds6

About 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-methyl-2-phenoxypropanamide

3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-methyl-2-phenoxypropanamide (PubChem CID 70568807) has the molecular formula C17H14Cl2F3NO3 and a molecular weight of 408.20 g/mol. Its IUPAC name is 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-methyl-2-phenoxypropanamide.

Molecular Properties

Compound Name3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-methyl-2-phenoxypropanamide
PubChem CID70568807
Molecular FormulaC17H14Cl2F3NO3
Molecular Weight408.20 g/mol
Exact Mass407.03
IUPAC Name3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-methyl-2-phenoxypropanamide
SMILESCNC(=O)C(COc1c(Cl)cc(C(F)(F)F)cc1Cl)Oc1ccccc1
InChIInChI=1S/C17H14Cl2F3NO3/c1-23-16(24)14(26-11-5-3-2-4-6-11)9-25-15-12(18)7-10(8-13(15)19)17(20,21)22/h2-8,14H,9H2,1H3,(H,23,24)
InChIKeyLBKYFCTWGCDZHR-UHFFFAOYSA-N
XLogP4.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.20
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-methyl-2-phenoxypropanamide?
The IUPAC name of 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-methyl-2-phenoxypropanamide (CID 70568807) is 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-methyl-2-phenoxypropanamide.
What is the SMILES notation for 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-methyl-2-phenoxypropanamide?
The canonical SMILES for 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-methyl-2-phenoxypropanamide is CNC(=O)C(COc1c(Cl)cc(C(F)(F)F)cc1Cl)Oc1ccccc1.
What is the InChIKey of 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-methyl-2-phenoxypropanamide?
The InChIKey is LBKYFCTWGCDZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F3NO3/c1-23-16(24)14(26-11-5-3-2-4-6-11)9-25-15-12(18)7-10(8-13(15)19)17(20,21)22/h2-8,14H,9H2,1H3,(H,23,24).
What are the key properties of 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-methyl-2-phenoxypropanamide?
3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-methyl-2-phenoxypropanamide has a molecular weight of 408.20 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-methyl-2-phenoxypropanamide is sourced from PubChem (CID 70568807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).