N'-[(3-bromo-4-fluorophenyl)methylideneamino]oxamide

C9H7BrFN3O2 — CID 4081969

IUPACN'-[(3-bromo-4-fluorophenyl)methylideneamino]oxamide
SMILESNC(=O)C(=O)NN=Cc1ccc(F)c(Br)c1
InChIInChI=1S/C9H7BrFN3O2/c10-6-3-5(1-2-7(6)11)4-13-14-9(16)8(12)15/h1-4H,(H2,12,15)(H,14,16)
InChIKeyFXGYEYJXFWDQAI-UHFFFAOYSA-N
MW288.08 g/mol
LogP0.52
Rot. Bonds2

About N'-[(3-bromo-4-fluorophenyl)methylideneamino]oxamide

N'-[(3-bromo-4-fluorophenyl)methylideneamino]oxamide (PubChem CID 4081969) has the molecular formula C9H7BrFN3O2 and a molecular weight of 288.08 g/mol. Its IUPAC name is N'-[(3-bromo-4-fluorophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(3-bromo-4-fluorophenyl)methylideneamino]oxamide
PubChem CID4081969
Molecular FormulaC9H7BrFN3O2
Molecular Weight288.08 g/mol
Exact Mass286.97
IUPAC NameN'-[(3-bromo-4-fluorophenyl)methylideneamino]oxamide
SMILESNC(=O)C(=O)NN=Cc1ccc(F)c(Br)c1
InChIInChI=1S/C9H7BrFN3O2/c10-6-3-5(1-2-7(6)11)4-13-14-9(16)8(12)15/h1-4H,(H2,12,15)(H,14,16)
InChIKeyFXGYEYJXFWDQAI-UHFFFAOYSA-N
XLogP0.52
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.08
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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

N,N'-bis[(3-bromo-4-fluorophenyl)methylideneamino]propanediamide
CID 4625442
methyl N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]carbamate
CID 6174064
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide
CID 6298230
2-bromo-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide
CID 7832175
N'-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]oxamide
CID 9120780
N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide
CID 6248388
N-[(3-bromo-4-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 872797
2-[(3-bromo-4-fluorophenyl)methylideneamino]guanidine
CID 66841829
[(E)-(4-fluoro-3-methylphenyl)methylideneamino]urea
CID 63318884
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-ethoxybenzamide
CID 9214902
N-[(3-bromo-4-fluorophenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 1235303
N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]oxamide
CID 135579888

Frequently Asked Questions

What is the IUPAC name of N'-[(3-bromo-4-fluorophenyl)methylideneamino]oxamide?
The IUPAC name of N'-[(3-bromo-4-fluorophenyl)methylideneamino]oxamide (CID 4081969) is N'-[(3-bromo-4-fluorophenyl)methylideneamino]oxamide.
What is the SMILES notation for N'-[(3-bromo-4-fluorophenyl)methylideneamino]oxamide?
The canonical SMILES for N'-[(3-bromo-4-fluorophenyl)methylideneamino]oxamide is NC(=O)C(=O)NN=Cc1ccc(F)c(Br)c1.
What is the InChIKey of N'-[(3-bromo-4-fluorophenyl)methylideneamino]oxamide?
The InChIKey is FXGYEYJXFWDQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN3O2/c10-6-3-5(1-2-7(6)11)4-13-14-9(16)8(12)15/h1-4H,(H2,12,15)(H,14,16).
What are the key properties of N'-[(3-bromo-4-fluorophenyl)methylideneamino]oxamide?
N'-[(3-bromo-4-fluorophenyl)methylideneamino]oxamide has a molecular weight of 288.08 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-bromo-4-fluorophenyl)methylideneamino]oxamide is sourced from PubChem (CID 4081969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).