N-(4-bromo-3-methylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide

C16H14BrFN2O2 — CID 7704359

IUPACN-(4-bromo-3-methylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
SMILESCc1cc(NC(=O)CO/N=C\c2cccc(F)c2)ccc1Br
InChIInChI=1S/C16H14BrFN2O2/c1-11-7-14(5-6-15(11)17)20-16(21)10-22-19-9-12-3-2-4-13(18)8-12/h2-9H,10H2,1H3,(H,20,21)/b19-9-
InChIKeyHEACTNFAEBMSIC-OCKHKDLRSA-N
MW365.20 g/mol
LogP3.89
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide

N-(4-bromo-3-methylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide (PubChem CID 7704359) has the molecular formula C16H14BrFN2O2 and a molecular weight of 365.20 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
PubChem CID7704359
Molecular FormulaC16H14BrFN2O2
Molecular Weight365.20 g/mol
Exact Mass364.02
IUPAC NameN-(4-bromo-3-methylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
SMILESCc1cc(NC(=O)CO/N=C\c2cccc(F)c2)ccc1Br
InChIInChI=1S/C16H14BrFN2O2/c1-11-7-14(5-6-15(11)17)20-16(21)10-22-19-9-12-3-2-4-13(18)8-12/h2-9H,10H2,1H3,(H,20,21)/b19-9-
InChIKeyHEACTNFAEBMSIC-OCKHKDLRSA-N
XLogP3.89
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704309
2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 7704346
N-(3,4-difluorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704353
N'-(4-bromo-3-methylphenyl)-N-(3-fluorophenyl)propanediamide
CID 108956592
N-[4-(diethylsulfamoyl)phenyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704407
N-[(1S)-1-(2-bromophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704854
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide
CID 7700971
2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide
CID 7669824
2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 7704490
N-(3-bromophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705224
2-[(Z)-benzylideneamino]oxy-N-(3,5-dimethylphenyl)acetamide
CID 7643871
3-(4-bromo-3-methylanilino)-N-(3-fluorophenyl)propanamide
CID 109042030

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide (CID 7704359) is N-(4-bromo-3-methylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide is Cc1cc(NC(=O)CO/N=C\c2cccc(F)c2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide?
The InChIKey is HEACTNFAEBMSIC-OCKHKDLRSA-N. The full InChI is InChI=1S/C16H14BrFN2O2/c1-11-7-14(5-6-15(11)17)20-16(21)10-22-19-9-12-3-2-4-13(18)8-12/h2-9H,10H2,1H3,(H,20,21)/b19-9-.
What are the key properties of N-(4-bromo-3-methylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide?
N-(4-bromo-3-methylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide has a molecular weight of 365.20 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 7704359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).