2-[(E)-(4-bromophenyl)methylideneamino]oxyacetohydrazide

C9H10BrN3O2 — CID 23004809

IUPAC2-[(E)-(4-bromophenyl)methylideneamino]oxyacetohydrazide
SMILESNNC(=O)CO/N=C/c1ccc(Br)cc1
InChIInChI=1S/C9H10BrN3O2/c10-8-3-1-7(2-4-8)5-12-15-6-9(14)13-11/h1-5H,6,11H2,(H,13,14)/b12-5+
InChIKeyJJMXYTCMPOLUPT-LFYBBSHMSA-N
MW272.10 g/mol
LogP0.79
Rot. Bonds4

About 2-[(E)-(4-bromophenyl)methylideneamino]oxyacetohydrazide

2-[(E)-(4-bromophenyl)methylideneamino]oxyacetohydrazide (PubChem CID 23004809) has the molecular formula C9H10BrN3O2 and a molecular weight of 272.10 g/mol. Its IUPAC name is 2-[(E)-(4-bromophenyl)methylideneamino]oxyacetohydrazide.

Molecular Properties

Compound Name2-[(E)-(4-bromophenyl)methylideneamino]oxyacetohydrazide
PubChem CID23004809
Molecular FormulaC9H10BrN3O2
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC Name2-[(E)-(4-bromophenyl)methylideneamino]oxyacetohydrazide
SMILESNNC(=O)CO/N=C/c1ccc(Br)cc1
InChIInChI=1S/C9H10BrN3O2/c10-8-3-1-7(2-4-8)5-12-15-6-9(14)13-11/h1-5H,6,11H2,(H,13,14)/b12-5+
InChIKeyJJMXYTCMPOLUPT-LFYBBSHMSA-N
XLogP0.79
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(2-methylpropyl)acetamide
CID 7702191
methyl 2-[(E)-(4-bromophenyl)methylideneamino]oxyacetate
CID 23004808
2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide
CID 7702022
N-(4-bromo-2-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705663
N-(4-bromophenyl)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 7668804
2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(5-chloro-2-cyanophenyl)acetamide
CID 7702033
N-(3-bromophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705224
2-[(E)-(4-fluorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 47096591
2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 2430181
2-[(Z)-(4-methoxyphenyl)methylideneamino]oxy-N',N'-dimethylacetohydrazide
CID 9163888
3-(4-bromophenyl)-3-hydroxypropanehydrazide
CID 11846937
2-[(Z)-benzylideneamino]oxy-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide
CID 7644254

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-bromophenyl)methylideneamino]oxyacetohydrazide?
The IUPAC name of 2-[(E)-(4-bromophenyl)methylideneamino]oxyacetohydrazide (CID 23004809) is 2-[(E)-(4-bromophenyl)methylideneamino]oxyacetohydrazide.
What is the SMILES notation for 2-[(E)-(4-bromophenyl)methylideneamino]oxyacetohydrazide?
The canonical SMILES for 2-[(E)-(4-bromophenyl)methylideneamino]oxyacetohydrazide is NNC(=O)CO/N=C/c1ccc(Br)cc1.
What is the InChIKey of 2-[(E)-(4-bromophenyl)methylideneamino]oxyacetohydrazide?
The InChIKey is JJMXYTCMPOLUPT-LFYBBSHMSA-N. The full InChI is InChI=1S/C9H10BrN3O2/c10-8-3-1-7(2-4-8)5-12-15-6-9(14)13-11/h1-5H,6,11H2,(H,13,14)/b12-5+.
What are the key properties of 2-[(E)-(4-bromophenyl)methylideneamino]oxyacetohydrazide?
2-[(E)-(4-bromophenyl)methylideneamino]oxyacetohydrazide has a molecular weight of 272.10 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-bromophenyl)methylideneamino]oxyacetohydrazide is sourced from PubChem (CID 23004809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).