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

C19H19ClF3NO4 — CID 19020225

IUPAC2-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C19H19ClF3NO4/c1-12(18(25)24-8-9-26-2)27-14-4-3-5-15(11-14)28-17-7-6-13(10-16(17)20)19(21,22)23/h3-7,10-12H,8-9H2,1-2H3,(H,24,25)
InChIKeyRPWHQOQEIKSAQK-UHFFFAOYSA-N
MW417.81 g/mol
LogP4.68
Rot. Bonds8

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

2-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-N-(2-methoxyethyl)propanamide (PubChem CID 19020225) has the molecular formula C19H19ClF3NO4 and a molecular weight of 417.81 g/mol. Its IUPAC name is 2-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-N-(2-methoxyethyl)propanamide
PubChem CID19020225
Molecular FormulaC19H19ClF3NO4
Molecular Weight417.81 g/mol
Exact Mass417.10
IUPAC Name2-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C19H19ClF3NO4/c1-12(18(25)24-8-9-26-2)27-14-4-3-5-15(11-14)28-17-7-6-13(10-16(17)20)19(21,22)23/h3-7,10-12H,8-9H2,1-2H3,(H,24,25)
InChIKeyRPWHQOQEIKSAQK-UHFFFAOYSA-N
XLogP4.68
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.81
LogP ≤ 54.68
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-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-N-(2-methoxyethyl)propanamide (CID 19020225) is 2-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Oc1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 2-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-N-(2-methoxyethyl)propanamide?
The InChIKey is RPWHQOQEIKSAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3NO4/c1-12(18(25)24-8-9-26-2)27-14-4-3-5-15(11-14)28-17-7-6-13(10-16(17)20)19(21,22)23/h3-7,10-12H,8-9H2,1-2H3,(H,24,25).
What are the key properties of 2-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-N-(2-methoxyethyl)propanamide?
2-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-N-(2-methoxyethyl)propanamide has a molecular weight of 417.81 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 19020225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).