methyl 2-[(E)-(4-bromophenyl)methylideneamino]oxyacetate

C10H10BrNO3 — CID 23004808

IUPACmethyl 2-[(E)-(4-bromophenyl)methylideneamino]oxyacetate
SMILESCOC(=O)CO/N=C/c1ccc(Br)cc1
InChIInChI=1S/C10H10BrNO3/c1-14-10(13)7-15-12-6-8-2-4-9(11)5-3-8/h2-6H,7H2,1H3/b12-6+
InChIKeyIUGYPZKSDGMAPH-WUXMJOGZSA-N
MW272.10 g/mol
LogP1.97
Rot. Bonds4

About methyl 2-[(E)-(4-bromophenyl)methylideneamino]oxyacetate

methyl 2-[(E)-(4-bromophenyl)methylideneamino]oxyacetate (PubChem CID 23004808) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is methyl 2-[(E)-(4-bromophenyl)methylideneamino]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[(E)-(4-bromophenyl)methylideneamino]oxyacetate
PubChem CID23004808
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC Namemethyl 2-[(E)-(4-bromophenyl)methylideneamino]oxyacetate
SMILESCOC(=O)CO/N=C/c1ccc(Br)cc1
InChIInChI=1S/C10H10BrNO3/c1-14-10(13)7-15-12-6-8-2-4-9(11)5-3-8/h2-6H,7H2,1H3/b12-6+
InChIKeyIUGYPZKSDGMAPH-WUXMJOGZSA-N
XLogP1.97
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-[(E)-(4-bromophenyl)methylideneamino]oxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-(4-bromophenyl)methylideneamino]oxyacetohydrazide
CID 23004809
2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(2-methylpropyl)acetamide
CID 7702191
methyl 2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetate
CID 137304074
methyl 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]acetate
CID 3677124
N-(4-bromophenyl)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 7668804
methyl 2-[4-[(Z)-[[2-(4-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 94832752
N-(4-bromo-2-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705663
2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide
CID 7702022
2-[(4-acetamidophenyl)methylideneamino]oxyacetic acid
CID 77013496
methyl 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]acetate
CID 43404674
N-(3-bromophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705224
2-[(Z)-(4-methoxyphenyl)methylideneamino]oxy-N',N'-dimethylacetohydrazide
CID 9163888

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(E)-(4-bromophenyl)methylideneamino]oxyacetate?
The IUPAC name of methyl 2-[(E)-(4-bromophenyl)methylideneamino]oxyacetate (CID 23004808) is methyl 2-[(E)-(4-bromophenyl)methylideneamino]oxyacetate.
What is the SMILES notation for methyl 2-[(E)-(4-bromophenyl)methylideneamino]oxyacetate?
The canonical SMILES for methyl 2-[(E)-(4-bromophenyl)methylideneamino]oxyacetate is COC(=O)CO/N=C/c1ccc(Br)cc1.
What is the InChIKey of methyl 2-[(E)-(4-bromophenyl)methylideneamino]oxyacetate?
The InChIKey is IUGYPZKSDGMAPH-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H10BrNO3/c1-14-10(13)7-15-12-6-8-2-4-9(11)5-3-8/h2-6H,7H2,1H3/b12-6+.
What are the key properties of methyl 2-[(E)-(4-bromophenyl)methylideneamino]oxyacetate?
methyl 2-[(E)-(4-bromophenyl)methylideneamino]oxyacetate has a molecular weight of 272.10 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(E)-(4-bromophenyl)methylideneamino]oxyacetate is sourced from PubChem (CID 23004808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).