2-[(E)-(1-amino-2-phenylethylidene)amino]oxy-N-(3-fluoro-4-methylphenyl)propanamide

C18H20FN3O2 — CID 60548275

IUPAC2-[(E)-(1-amino-2-phenylethylidene)amino]oxy-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)O/N=C(/N)Cc2ccccc2)cc1F
InChIInChI=1S/C18H20FN3O2/c1-12-8-9-15(11-16(12)19)21-18(23)13(2)24-22-17(20)10-14-6-4-3-5-7-14/h3-9,11,13H,10H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyGBICDFUSSFOYPJ-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.99
Rot. Bonds6

About 2-[(E)-(1-amino-2-phenylethylidene)amino]oxy-N-(3-fluoro-4-methylphenyl)propanamide

2-[(E)-(1-amino-2-phenylethylidene)amino]oxy-N-(3-fluoro-4-methylphenyl)propanamide (PubChem CID 60548275) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[(E)-(1-amino-2-phenylethylidene)amino]oxy-N-(3-fluoro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[(E)-(1-amino-2-phenylethylidene)amino]oxy-N-(3-fluoro-4-methylphenyl)propanamide
PubChem CID60548275
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name2-[(E)-(1-amino-2-phenylethylidene)amino]oxy-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)O/N=C(/N)Cc2ccccc2)cc1F
InChIInChI=1S/C18H20FN3O2/c1-12-8-9-15(11-16(12)19)21-18(23)13(2)24-22-17(20)10-14-6-4-3-5-7-14/h3-9,11,13H,10H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyGBICDFUSSFOYPJ-UHFFFAOYSA-N
XLogP2.99
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-ethoxyphenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 24511443
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenylacetate
CID 7874560
N-(3-fluoro-4-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107021266
N-(3-fluoro-4-methylphenyl)-2,2-diphenylacetamide
CID 676006
[(2S)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 8564062
(2S)-2-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide
CID 30904982
[1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-(3-methoxy-4-methylphenyl)acetate
CID 55459669
2-[[amino-(2-piperidin-1-yl-4-pyridinyl)methylidene]amino]oxy-N-(3-fluoro-4-methylphenyl)propanamide
CID 72692002
[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8738131
2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)propanamide
CID 24511868
N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 668304
2-(4-ethoxyphenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 24511595

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(1-amino-2-phenylethylidene)amino]oxy-N-(3-fluoro-4-methylphenyl)propanamide?
The IUPAC name of 2-[(E)-(1-amino-2-phenylethylidene)amino]oxy-N-(3-fluoro-4-methylphenyl)propanamide (CID 60548275) is 2-[(E)-(1-amino-2-phenylethylidene)amino]oxy-N-(3-fluoro-4-methylphenyl)propanamide.
What is the SMILES notation for 2-[(E)-(1-amino-2-phenylethylidene)amino]oxy-N-(3-fluoro-4-methylphenyl)propanamide?
The canonical SMILES for 2-[(E)-(1-amino-2-phenylethylidene)amino]oxy-N-(3-fluoro-4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(C)O/N=C(/N)Cc2ccccc2)cc1F.
What is the InChIKey of 2-[(E)-(1-amino-2-phenylethylidene)amino]oxy-N-(3-fluoro-4-methylphenyl)propanamide?
The InChIKey is GBICDFUSSFOYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-12-8-9-15(11-16(12)19)21-18(23)13(2)24-22-17(20)10-14-6-4-3-5-7-14/h3-9,11,13H,10H2,1-2H3,(H2,20,22)(H,21,23).
What are the key properties of 2-[(E)-(1-amino-2-phenylethylidene)amino]oxy-N-(3-fluoro-4-methylphenyl)propanamide?
2-[(E)-(1-amino-2-phenylethylidene)amino]oxy-N-(3-fluoro-4-methylphenyl)propanamide has a molecular weight of 329.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(1-amino-2-phenylethylidene)amino]oxy-N-(3-fluoro-4-methylphenyl)propanamide is sourced from PubChem (CID 60548275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).