2-[[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-(2-methoxy-5-methylphenyl)acetamide

C19H21F2N3O5 — CID 75134683

IUPAC2-[[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CON=C(N)c1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C19H21F2N3O5/c1-11-4-6-14(26-2)13(8-11)23-17(25)10-28-24-18(22)12-5-7-15(29-19(20)21)16(9-12)27-3/h4-9,19H,10H2,1-3H3,(H2,22,24)(H,23,25)
InChIKeyFQENIJKICPGLST-UHFFFAOYSA-N
MW409.39 g/mol
LogP2.89
Rot. Bonds9

About 2-[[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-(2-methoxy-5-methylphenyl)acetamide

2-[[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 75134683) has the molecular formula C19H21F2N3O5 and a molecular weight of 409.39 g/mol. Its IUPAC name is 2-[[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID75134683
Molecular FormulaC19H21F2N3O5
Molecular Weight409.39 g/mol
Exact Mass409.14
IUPAC Name2-[[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CON=C(N)c1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C19H21F2N3O5/c1-11-4-6-14(26-2)13(8-11)23-17(25)10-28-24-18(22)12-5-7-15(29-19(20)21)16(9-12)27-3/h4-9,19H,10H2,1-3H3,(H2,22,24)(H,23,25)
InChIKeyFQENIJKICPGLST-UHFFFAOYSA-N
XLogP2.89
TPSA104.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-(2-methoxy-5-methylphenyl)acetamide 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

4-(difluoromethoxy)-3-methoxy-N'-[(3-methylphenyl)methoxy]benzenecarboximidamide
CID 134051463
methyl 5-[[(Z)-[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxymethyl]-3-methylfuran-2-carboxylate
CID 52713751
[2-(2-methylanilino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 2607046
2-[(Z)-[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-(2,4,6-trimethylphenyl)propanamide
CID 55515599
4-(difluoromethoxy)-N'-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3-methoxybenzenecarboximidamide
CID 55501214
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate
CID 4044601
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 26637470
4-(difluoromethoxy)-N'-[(2-fluorophenyl)methoxy]-3-methoxybenzenecarboximidamide
CID 95568429
N-(2-methoxy-5-methylphenyl)-2-propan-2-yloxyacetamide
CID 47410584
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 2607054
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-fluoro-4-methylphenyl)acetamide
CID 24605187
[2-(2,6-dimethylanilino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 7214372

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-(2-methoxy-5-methylphenyl)acetamide (CID 75134683) is 2-[[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CON=C(N)c1ccc(OC(F)F)c(OC)c1.
What is the InChIKey of 2-[[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is FQENIJKICPGLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O5/c1-11-4-6-14(26-2)13(8-11)23-17(25)10-28-24-18(22)12-5-7-15(29-19(20)21)16(9-12)27-3/h4-9,19H,10H2,1-3H3,(H2,22,24)(H,23,25).
What are the key properties of 2-[[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-(2-methoxy-5-methylphenyl)acetamide?
2-[[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 409.39 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 75134683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).