N-(3-cyanophenyl)-2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxypropanamide

C18H14F2N4O3 — CID 60528886

IUPACN-(3-cyanophenyl)-2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxypropanamide
SMILESCC(O/N=C/C(=O)Nc1ccc(F)cc1F)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C18H14F2N4O3/c1-11(18(26)23-14-4-2-3-12(7-14)9-21)27-22-10-17(25)24-16-6-5-13(19)8-15(16)20/h2-8,10-11H,1H3,(H,23,26)(H,24,25)/b22-10+
InChIKeyNOELCMBNCXWUPZ-LSHDLFTRSA-N
MW372.33 g/mol
LogP2.80
Rot. Bonds6

About N-(3-cyanophenyl)-2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxypropanamide

N-(3-cyanophenyl)-2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxypropanamide (PubChem CID 60528886) has the molecular formula C18H14F2N4O3 and a molecular weight of 372.33 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxypropanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxypropanamide
PubChem CID60528886
Molecular FormulaC18H14F2N4O3
Molecular Weight372.33 g/mol
Exact Mass372.10
IUPAC NameN-(3-cyanophenyl)-2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxypropanamide
SMILESCC(O/N=C/C(=O)Nc1ccc(F)cc1F)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C18H14F2N4O3/c1-11(18(26)23-14-4-2-3-12(7-14)9-21)27-22-10-17(25)24-16-6-5-13(19)8-15(16)20/h2-8,10-11H,1H3,(H,23,26)(H,24,25)/b22-10+
InChIKeyNOELCMBNCXWUPZ-LSHDLFTRSA-N
XLogP2.80
TPSA103.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55870389
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 8021309
(2S)-N-(3-cyanophenyl)-2-(2-fluorophenoxy)propanamide
CID 7815212
(2R)-N-(3-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide
CID 7669953
1-N-(3-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109057785
2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 55870520
N-(3-cyanophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109011066
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-bromo-4-fluorobenzoate
CID 8837449
[1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 16524098
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7791469
N-(3-cyanophenyl)-2-ethoxypropanamide
CID 43187565

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxypropanamide?
The IUPAC name of N-(3-cyanophenyl)-2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxypropanamide (CID 60528886) is N-(3-cyanophenyl)-2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxypropanamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxypropanamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxypropanamide is CC(O/N=C/C(=O)Nc1ccc(F)cc1F)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxypropanamide?
The InChIKey is NOELCMBNCXWUPZ-LSHDLFTRSA-N. The full InChI is InChI=1S/C18H14F2N4O3/c1-11(18(26)23-14-4-2-3-12(7-14)9-21)27-22-10-17(25)24-16-6-5-13(19)8-15(16)20/h2-8,10-11H,1H3,(H,23,26)(H,24,25)/b22-10+.
What are the key properties of N-(3-cyanophenyl)-2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxypropanamide?
N-(3-cyanophenyl)-2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxypropanamide has a molecular weight of 372.33 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxypropanamide is sourced from PubChem (CID 60528886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).