N-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]acetamide

C10H11FN2O2 — CID 163229900

IUPACN-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]acetamide
SMILESCC(=O)N/N=C/c1cc(C)cc(F)c1O
InChIInChI=1S/C10H11FN2O2/c1-6-3-8(5-12-13-7(2)14)10(15)9(11)4-6/h3-5,15H,1-2H3,(H,13,14)/b12-5+
InChIKeyAXUHOVOPOUQZLY-LFYBBSHMSA-N
MW210.21 g/mol
LogP1.31
Rot. Bonds2

About N-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]acetamide

N-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]acetamide (PubChem CID 163229900) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is N-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]acetamide
PubChem CID163229900
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC NameN-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]acetamide
SMILESCC(=O)N/N=C/c1cc(C)cc(F)c1O
InChIInChI=1S/C10H11FN2O2/c1-6-3-8(5-12-13-7(2)14)10(15)9(11)4-6/h3-5,15H,1-2H3,(H,13,14)/b12-5+
InChIKeyAXUHOVOPOUQZLY-LFYBBSHMSA-N
XLogP1.31
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxybenzaldehyde semicarbazone
CID 135466838
Acetic (2-hydroxybenzylidene)hydrazide
CID 135442996
N-[(E)-[3-[(E)-(Acetylhydrazono)methyl]-2-hydroxy-5-isopropyl-phenyl]methyleneamino]acetamide
CID 135455074
N-[[(5E)-5-[(2-acetylhydrazinyl)methylidene]-3-tert-butyl-6-oxocyclohexa-1,3-dien-1-yl]methylideneamino]acetamide
CID 135460417
N'-(2,4-Dihydroxybenzylidene)acetohydrazide
CID 135615765
N-[(2-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 251902
N'-[(E)-(2-hydroxy-5-methylphenyl)methylidene]-2-(pyrrolidin-1-yl)acetohydrazide
CID 135607970
N'-(2-Hydroxybenzylidene)formic hydrazide
CID 135478819
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide
CID 135723720
Acetic acid, cyano-, salicylidenehydrazide
CID 135455293
Nsc121748
CID 275110
N-[(1E)-2-(2,5-dihydroxyphenyl)-1-azavinyl]acetamide
CID 135589201

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]acetamide?
The IUPAC name of N-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]acetamide (CID 163229900) is N-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for N-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for N-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]acetamide is CC(=O)N/N=C/c1cc(C)cc(F)c1O.
What is the InChIKey of N-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]acetamide?
The InChIKey is AXUHOVOPOUQZLY-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H11FN2O2/c1-6-3-8(5-12-13-7(2)14)10(15)9(11)4-6/h3-5,15H,1-2H3,(H,13,14)/b12-5+.
What are the key properties of N-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]acetamide?
N-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]acetamide has a molecular weight of 210.21 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 163229900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).