2-(2,4-dichlorophenoxy)-N-[(Z)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]propanamide

C19H16Cl2F3N3O3 — CID 6265635

IUPAC2-(2,4-dichlorophenoxy)-N-[(Z)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]propanamide
SMILESC/C(=N/NC(=O)C(C)Oc1ccc(Cl)cc1Cl)c1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C19H16Cl2F3N3O3/c1-10(12-4-3-5-14(8-12)25-18(29)19(22,23)24)26-27-17(28)11(2)30-16-7-6-13(20)9-15(16)21/h3-9,11H,1-2H3,(H,25,29)(H,27,28)/b26-10-
InChIKeyWEBZUPOVJXSEDG-KALUYTGESA-N
MW462.26 g/mol
LogP4.80
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-[(Z)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]propanamide

2-(2,4-dichlorophenoxy)-N-[(Z)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]propanamide (PubChem CID 6265635) has the molecular formula C19H16Cl2F3N3O3 and a molecular weight of 462.26 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(Z)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(Z)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]propanamide
PubChem CID6265635
Molecular FormulaC19H16Cl2F3N3O3
Molecular Weight462.26 g/mol
Exact Mass461.05
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(Z)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]propanamide
SMILESC/C(=N/NC(=O)C(C)Oc1ccc(Cl)cc1Cl)c1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C19H16Cl2F3N3O3/c1-10(12-4-3-5-14(8-12)25-18(29)19(22,23)24)26-27-17(28)11(2)30-16-7-6-13(20)9-15(16)21/h3-9,11H,1-2H3,(H,25,29)(H,27,28)/b26-10-
InChIKeyWEBZUPOVJXSEDG-KALUYTGESA-N
XLogP4.80
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.26
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 3699366
(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]propanamide
CID 7114974
N-[1-(3-aminophenyl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide
CID 4527145
3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 17197387
2-(2,4-dichlorophenoxy)-N'-(2,2,2-trifluoroacetyl)propanehydrazide
CID 3349726
3,4-dichloro-N-[(Z)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 5430448
2,2-dimethyl-N-[3-[(Z)-C-methyl-N-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]carbonimidoyl]phenyl]propanamide
CID 27526172
[2-(3-acetylanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862601
(2R)-2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)propanamide
CID 2164297
2-(4-chloro-2-methylphenoxy)-N-[1-(2-chlorophenyl)ethylideneamino]propanamide
CID 3390414
N-[(Z)-1-[3-[[(2R)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]phenyl]ethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide
CID 5431501
N,N'-bis[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]pentanediamide
CID 3899858

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(Z)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(Z)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]propanamide (CID 6265635) is 2-(2,4-dichlorophenoxy)-N-[(Z)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(Z)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(Z)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]propanamide is C/C(=N/NC(=O)C(C)Oc1ccc(Cl)cc1Cl)c1cccc(NC(=O)C(F)(F)F)c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(Z)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]propanamide?
The InChIKey is WEBZUPOVJXSEDG-KALUYTGESA-N. The full InChI is InChI=1S/C19H16Cl2F3N3O3/c1-10(12-4-3-5-14(8-12)25-18(29)19(22,23)24)26-27-17(28)11(2)30-16-7-6-13(20)9-15(16)21/h3-9,11H,1-2H3,(H,25,29)(H,27,28)/b26-10-.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(Z)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]propanamide?
2-(2,4-dichlorophenoxy)-N-[(Z)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]propanamide has a molecular weight of 462.26 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(Z)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]propanamide is sourced from PubChem (CID 6265635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).