N-(2,2,2-trichloroethylideneamino)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide

C18H14Cl3F3N2O3 — CID 54337404

IUPACN-(2,2,2-trichloroethylideneamino)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
SMILESCC(Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(=O)NN=CC(Cl)(Cl)Cl
InChIInChI=1S/C18H14Cl3F3N2O3/c1-11(16(27)26-25-10-17(19,20)21)28-13-6-8-15(9-7-13)29-14-4-2-12(3-5-14)18(22,23)24/h2-11H,1H3,(H,26,27)
InChIKeyTWLWFDSVLFTZDZ-UHFFFAOYSA-N
MW469.67 g/mol
LogP5.74
Rot. Bonds6

About N-(2,2,2-trichloroethylideneamino)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide

N-(2,2,2-trichloroethylideneamino)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide (PubChem CID 54337404) has the molecular formula C18H14Cl3F3N2O3 and a molecular weight of 469.67 g/mol. Its IUPAC name is N-(2,2,2-trichloroethylideneamino)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide.

Molecular Properties

Compound NameN-(2,2,2-trichloroethylideneamino)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
PubChem CID54337404
Molecular FormulaC18H14Cl3F3N2O3
Molecular Weight469.67 g/mol
Exact Mass468.00
IUPAC NameN-(2,2,2-trichloroethylideneamino)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
SMILESCC(Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(=O)NN=CC(Cl)(Cl)Cl
InChIInChI=1S/C18H14Cl3F3N2O3/c1-11(16(27)26-25-10-17(19,20)21)28-13-6-8-15(9-7-13)29-14-4-2-12(3-5-14)18(22,23)24/h2-11H,1H3,(H,26,27)
InChIKeyTWLWFDSVLFTZDZ-UHFFFAOYSA-N
XLogP5.74
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.67
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2,2,2-trichloroethylideneamino)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 162540820
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanethioic S-acid
CID 20555453
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
CID 12905997
(2R)-N-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenoxy]propanamide
CID 7467575
potassium N-[2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoylamino]carbamodithioate
CID 139682382
(2R)-N-(1-phenylethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
CID 158170724
methyl (4R)-3-oxo-4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]pentanoate
CID 13472766
2-(2-chloroacetyl)oxyethynyl 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate
CID 158004558
[(2-chloroacetyl)amino]methyl 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate
CID 13325088
methyl 4-[2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoyloxy]benzoate
CID 150992309
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 2788482
2-(4-bromophenoxy)-N-(ethylideneamino)propanamide
CID 4633825

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trichloroethylideneamino)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide?
The IUPAC name of N-(2,2,2-trichloroethylideneamino)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide (CID 54337404) is N-(2,2,2-trichloroethylideneamino)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide.
What is the SMILES notation for N-(2,2,2-trichloroethylideneamino)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide?
The canonical SMILES for N-(2,2,2-trichloroethylideneamino)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide is CC(Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(=O)NN=CC(Cl)(Cl)Cl.
What is the InChIKey of N-(2,2,2-trichloroethylideneamino)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide?
The InChIKey is TWLWFDSVLFTZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl3F3N2O3/c1-11(16(27)26-25-10-17(19,20)21)28-13-6-8-15(9-7-13)29-14-4-2-12(3-5-14)18(22,23)24/h2-11H,1H3,(H,26,27).
What are the key properties of N-(2,2,2-trichloroethylideneamino)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide?
N-(2,2,2-trichloroethylideneamino)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide has a molecular weight of 469.67 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trichloroethylideneamino)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide is sourced from PubChem (CID 54337404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).