2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(3,4-difluorophenyl)propanamide

C17H17F2N3O3 — CID 72691924

IUPAC2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(3,4-difluorophenyl)propanamide
SMILESCOc1ccc(C(N)=NOC(C)C(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H17F2N3O3/c1-10(17(23)21-12-5-8-14(18)15(19)9-12)25-22-16(20)11-3-6-13(24-2)7-4-11/h3-10H,1-2H3,(H2,20,22)(H,21,23)
InChIKeyQBZHVWYBJLYLLQ-UHFFFAOYSA-N
MW349.34 g/mol
LogP2.64
Rot. Bonds6

About 2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(3,4-difluorophenyl)propanamide

2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(3,4-difluorophenyl)propanamide (PubChem CID 72691924) has the molecular formula C17H17F2N3O3 and a molecular weight of 349.34 g/mol. Its IUPAC name is 2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(3,4-difluorophenyl)propanamide
PubChem CID72691924
Molecular FormulaC17H17F2N3O3
Molecular Weight349.34 g/mol
Exact Mass349.12
IUPAC Name2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(3,4-difluorophenyl)propanamide
SMILESCOc1ccc(C(N)=NOC(C)C(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H17F2N3O3/c1-10(17(23)21-12-5-8-14(18)15(19)9-12)25-22-16(20)11-3-6-13(24-2)7-4-11/h3-10H,1-2H3,(H2,20,22)(H,21,23)
InChIKeyQBZHVWYBJLYLLQ-UHFFFAOYSA-N
XLogP2.64
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(3,4-difluorophenyl)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

2-[(E)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(4-iodophenyl)propanamide
CID 55523749
N-[1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 42909230
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(4-methoxyphenyl)propanamide
CID 24609709
[(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952883
2-[[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxy-N-(3,4-difluorophenyl)propanamide
CID 72692184
(2R)-N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 26373927
(2S)-N-(4-acetylphenyl)-2-[[amino(phenyl)methylidene]amino]oxypropanamide
CID 2478819
2-[(Z)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 166375707
4-[2-(4-methoxyphenoxy)propanoylamino]benzamide
CID 2952411
(2S)-N-(3,4-difluorophenyl)-2-phenoxypropanamide
CID 670052
N-(3-acetylphenyl)-2-[(Z)-[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxypropanamide
CID 55365572
2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(4-methylsulfanylphenyl)propanamide
CID 78841430

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(3,4-difluorophenyl)propanamide?
The IUPAC name of 2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(3,4-difluorophenyl)propanamide (CID 72691924) is 2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for 2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(3,4-difluorophenyl)propanamide?
The canonical SMILES for 2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(3,4-difluorophenyl)propanamide is COc1ccc(C(N)=NOC(C)C(=O)Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(3,4-difluorophenyl)propanamide?
The InChIKey is QBZHVWYBJLYLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O3/c1-10(17(23)21-12-5-8-14(18)15(19)9-12)25-22-16(20)11-3-6-13(24-2)7-4-11/h3-10H,1-2H3,(H2,20,22)(H,21,23).
What are the key properties of 2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(3,4-difluorophenyl)propanamide?
2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(3,4-difluorophenyl)propanamide has a molecular weight of 349.34 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 72691924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).