2-[(E)-[amino(dimethylamino)methylidene]amino]oxy-N-[(2-fluorophenyl)methyl]acetamide

C12H17FN4O2 — CID 71848615

IUPAC2-[(E)-[amino(dimethylamino)methylidene]amino]oxy-N-[(2-fluorophenyl)methyl]acetamide
SMILESCN(C)/C(N)=N/OCC(=O)NCc1ccccc1F
InChIInChI=1S/C12H17FN4O2/c1-17(2)12(14)16-19-8-11(18)15-7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyRQTUAVPKGSSEPO-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.25
Rot. Bonds5

About 2-[(E)-[amino(dimethylamino)methylidene]amino]oxy-N-[(2-fluorophenyl)methyl]acetamide

2-[(E)-[amino(dimethylamino)methylidene]amino]oxy-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 71848615) has the molecular formula C12H17FN4O2 and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-[(E)-[amino(dimethylamino)methylidene]amino]oxy-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(E)-[amino(dimethylamino)methylidene]amino]oxy-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID71848615
Molecular FormulaC12H17FN4O2
Molecular Weight268.29 g/mol
Exact Mass268.13
IUPAC Name2-[(E)-[amino(dimethylamino)methylidene]amino]oxy-N-[(2-fluorophenyl)methyl]acetamide
SMILESCN(C)/C(N)=N/OCC(=O)NCc1ccccc1F
InChIInChI=1S/C12H17FN4O2/c1-17(2)12(14)16-19-8-11(18)15-7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyRQTUAVPKGSSEPO-UHFFFAOYSA-N
XLogP0.25
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.25
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

N-[(2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604909
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 8808388
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 8695272
methyl 3-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 60966267
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201290
3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119679706
2-(2-aminophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 16781117
N'-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)propanediamide
CID 108946249
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3,5-difluorobenzoate
CID 8807853
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-fluorophenyl)propanoate
CID 8647741
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 9492356
2-(2-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 24536882

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[amino(dimethylamino)methylidene]amino]oxy-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(E)-[amino(dimethylamino)methylidene]amino]oxy-N-[(2-fluorophenyl)methyl]acetamide (CID 71848615) is 2-[(E)-[amino(dimethylamino)methylidene]amino]oxy-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(E)-[amino(dimethylamino)methylidene]amino]oxy-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(E)-[amino(dimethylamino)methylidene]amino]oxy-N-[(2-fluorophenyl)methyl]acetamide is CN(C)/C(N)=N/OCC(=O)NCc1ccccc1F.
What is the InChIKey of 2-[(E)-[amino(dimethylamino)methylidene]amino]oxy-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is RQTUAVPKGSSEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O2/c1-17(2)12(14)16-19-8-11(18)15-7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3,(H2,14,16)(H,15,18).
What are the key properties of 2-[(E)-[amino(dimethylamino)methylidene]amino]oxy-N-[(2-fluorophenyl)methyl]acetamide?
2-[(E)-[amino(dimethylamino)methylidene]amino]oxy-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 268.29 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[amino(dimethylamino)methylidene]amino]oxy-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 71848615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).