2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-(4-methylphenyl)acetamide

C17H15F2N3O3 — CID 60528918

IUPAC2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CO/N=C/C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H15F2N3O3/c1-11-2-5-13(6-3-11)21-17(24)10-25-20-9-16(23)22-15-7-4-12(18)8-14(15)19/h2-9H,10H2,1H3,(H,21,24)(H,22,23)/b20-9+
InChIKeyHGHILUKQMONFMD-AWQFTUOYSA-N
MW347.32 g/mol
LogP2.85
Rot. Bonds6

About 2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-(4-methylphenyl)acetamide

2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-(4-methylphenyl)acetamide (PubChem CID 60528918) has the molecular formula C17H15F2N3O3 and a molecular weight of 347.32 g/mol. Its IUPAC name is 2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-(4-methylphenyl)acetamide
PubChem CID60528918
Molecular FormulaC17H15F2N3O3
Molecular Weight347.32 g/mol
Exact Mass347.11
IUPAC Name2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CO/N=C/C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H15F2N3O3/c1-11-2-5-13(6-3-11)21-17(24)10-25-20-9-16(23)22-15-7-4-12(18)8-14(15)19/h2-9H,10H2,1H3,(H,21,24)(H,22,23)/b20-9+
InChIKeyHGHILUKQMONFMD-AWQFTUOYSA-N
XLogP2.85
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 52.85
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-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(4-propan-2-ylphenyl)acetamide
CID 7665428
2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(4-fluorophenyl)acetamide
CID 7666973
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(E)-[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide
CID 6904540
2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(2,4-dimethylphenyl)acetamide
CID 7665698
2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 55871035
N-(2,4-difluorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxyimino]acetamide
CID 76865743
2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 7704346
N-(4-chloro-2-methylphenyl)-2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7665896
N-(2,4-difluorophenyl)-2-(4-methylphenoxy)acetamide
CID 755254
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7665884
[2-(4-methylanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2555000
N-(2,4-difluorophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxyimino]acetamide
CID 71849855

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-(4-methylphenyl)acetamide (CID 60528918) is 2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CO/N=C/C(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of 2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-(4-methylphenyl)acetamide?
The InChIKey is HGHILUKQMONFMD-AWQFTUOYSA-N. The full InChI is InChI=1S/C17H15F2N3O3/c1-11-2-5-13(6-3-11)21-17(24)10-25-20-9-16(23)22-15-7-4-12(18)8-14(15)19/h2-9H,10H2,1H3,(H,21,24)(H,22,23)/b20-9+.
What are the key properties of 2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-(4-methylphenyl)acetamide?
2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-(4-methylphenyl)acetamide has a molecular weight of 347.32 g/mol, XLogP of 2.85, 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 60528918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).