2-[(E)-[amino-(3-fluoro-4-methylphenyl)methylidene]amino]oxy-N-(2-methoxyphenyl)acetamide

C17H18FN3O3 — CID 87021676

IUPAC2-[(E)-[amino-(3-fluoro-4-methylphenyl)methylidene]amino]oxy-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CO/N=C(/N)c1ccc(C)c(F)c1
InChIInChI=1S/C17H18FN3O3/c1-11-7-8-12(9-13(11)18)17(19)21-24-10-16(22)20-14-5-3-4-6-15(14)23-2/h3-9H,10H2,1-2H3,(H2,19,21)(H,20,22)
InChIKeyHEBZVVFUUFFSLQ-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.42
Rot. Bonds6

About 2-[(E)-[amino-(3-fluoro-4-methylphenyl)methylidene]amino]oxy-N-(2-methoxyphenyl)acetamide

2-[(E)-[amino-(3-fluoro-4-methylphenyl)methylidene]amino]oxy-N-(2-methoxyphenyl)acetamide (PubChem CID 87021676) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-[(E)-[amino-(3-fluoro-4-methylphenyl)methylidene]amino]oxy-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(E)-[amino-(3-fluoro-4-methylphenyl)methylidene]amino]oxy-N-(2-methoxyphenyl)acetamide
PubChem CID87021676
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name2-[(E)-[amino-(3-fluoro-4-methylphenyl)methylidene]amino]oxy-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CO/N=C(/N)c1ccc(C)c(F)c1
InChIInChI=1S/C17H18FN3O3/c1-11-7-8-12(9-13(11)18)17(19)21-24-10-16(22)20-14-5-3-4-6-15(14)23-2/h3-9H,10H2,1-2H3,(H2,19,21)(H,20,22)
InChIKeyHEBZVVFUUFFSLQ-UHFFFAOYSA-N
XLogP2.42
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.42
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'}

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Related Compounds

2-[[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-(2-methoxy-5-methylphenyl)acetamide
CID 75134683
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-fluoro-4-methylphenyl)acetamide
CID 24605187
[2-(2-methylanilino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386498
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386534
[2-oxo-2-(2-phenoxyanilino)ethyl] 3-fluoro-4-methoxybenzoate
CID 8702272
[2-(2-methoxyanilino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885360
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(2-chloro-4-fluorophenyl)acetamide
CID 7613239
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387139
[2-(2-methoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519990
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 18195720
3-amino-3-[2-(benzhydrylamino)-2-oxoethoxy]imino-N-(2-methoxyphenyl)propanamide
CID 2430897
2-[6-ethyl-2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide
CID 95923032

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[amino-(3-fluoro-4-methylphenyl)methylidene]amino]oxy-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(E)-[amino-(3-fluoro-4-methylphenyl)methylidene]amino]oxy-N-(2-methoxyphenyl)acetamide (CID 87021676) is 2-[(E)-[amino-(3-fluoro-4-methylphenyl)methylidene]amino]oxy-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(E)-[amino-(3-fluoro-4-methylphenyl)methylidene]amino]oxy-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(E)-[amino-(3-fluoro-4-methylphenyl)methylidene]amino]oxy-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CO/N=C(/N)c1ccc(C)c(F)c1.
What is the InChIKey of 2-[(E)-[amino-(3-fluoro-4-methylphenyl)methylidene]amino]oxy-N-(2-methoxyphenyl)acetamide?
The InChIKey is HEBZVVFUUFFSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-11-7-8-12(9-13(11)18)17(19)21-24-10-16(22)20-14-5-3-4-6-15(14)23-2/h3-9H,10H2,1-2H3,(H2,19,21)(H,20,22).
What are the key properties of 2-[(E)-[amino-(3-fluoro-4-methylphenyl)methylidene]amino]oxy-N-(2-methoxyphenyl)acetamide?
2-[(E)-[amino-(3-fluoro-4-methylphenyl)methylidene]amino]oxy-N-(2-methoxyphenyl)acetamide has a molecular weight of 331.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[amino-(3-fluoro-4-methylphenyl)methylidene]amino]oxy-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 87021676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).