2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide

C18H14F5N3O3 — CID 55870389

IUPAC2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(O/N=C/C(=O)Nc1ccc(F)cc1F)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H14F5N3O3/c1-10(17(28)26-14-5-3-2-4-12(14)18(21,22)23)29-24-9-16(27)25-15-7-6-11(19)8-13(15)20/h2-10H,1H3,(H,25,27)(H,26,28)/b24-9+
InChIKeyKDWZEIBJXZDGGN-PGGKNCGUSA-N
MW415.32 g/mol
LogP3.95
Rot. Bonds6

About 2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide

2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 55870389) has the molecular formula C18H14F5N3O3 and a molecular weight of 415.32 g/mol. Its IUPAC name is 2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID55870389
Molecular FormulaC18H14F5N3O3
Molecular Weight415.32 g/mol
Exact Mass415.10
IUPAC Name2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(O/N=C/C(=O)Nc1ccc(F)cc1F)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H14F5N3O3/c1-10(17(28)26-14-5-3-2-4-12(14)18(21,22)23)29-24-9-16(27)25-15-7-6-11(19)8-13(15)20/h2-10H,1H3,(H,25,27)(H,26,28)/b24-9+
InChIKeyKDWZEIBJXZDGGN-PGGKNCGUSA-N
XLogP3.95
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 53.95
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-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-(3-iodophenyl)propanamide
CID 55871164
N-(3-cyanophenyl)-2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxypropanamide
CID 60528886
2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 55870520
2-methoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113225450
2-[(E)-thiophen-2-ylmethylideneamino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51249787
N-(2,4-difluorophenyl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxypropanamide
CID 16960640
N-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 53286451
2,4-difluoro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 8896585
N-(2,4-difluorophenyl)-2-(trifluoromethyl)benzamide
CID 2524391
[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (E)-3-(4-methylphenyl)prop-2-enoate
CID 8740445
(2S)-N-(2,4-difluorophenyl)-2-(2-methoxyanilino)propanamide
CID 9274019
(2S)-2-(2,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 7720105

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide (CID 55870389) is 2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide is CC(O/N=C/C(=O)Nc1ccc(F)cc1F)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is KDWZEIBJXZDGGN-PGGKNCGUSA-N. The full InChI is InChI=1S/C18H14F5N3O3/c1-10(17(28)26-14-5-3-2-4-12(14)18(21,22)23)29-24-9-16(27)25-15-7-6-11(19)8-13(15)20/h2-10H,1H3,(H,25,27)(H,26,28)/b24-9+.
What are the key properties of 2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide?
2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 415.32 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 55870389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).