ethyl 2-[(4-bromophenyl)methylideneamino]acetate

C11H12BrNO2 — CID 10492236

IUPACethyl 2-[(4-bromophenyl)methylideneamino]acetate
SMILESCCOC(=O)C/N=C/c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO2/c1-2-15-11(14)8-13-7-9-3-5-10(12)6-4-9/h3-7H,2,8H2,1H3/b13-7+
InChIKeyIALNZIXCZAMLQT-NTUHNPAUSA-N
MW270.13 g/mol
LogP2.43
Rot. Bonds4

About ethyl 2-[(4-bromophenyl)methylideneamino]acetate

ethyl 2-[(4-bromophenyl)methylideneamino]acetate (PubChem CID 10492236) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is ethyl 2-[(4-bromophenyl)methylideneamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-bromophenyl)methylideneamino]acetate
PubChem CID10492236
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Nameethyl 2-[(4-bromophenyl)methylideneamino]acetate
SMILESCCOC(=O)C/N=C/c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO2/c1-2-15-11(14)8-13-7-9-3-5-10(12)6-4-9/h3-7H,2,8H2,1H3/b13-7+
InChIKeyIALNZIXCZAMLQT-NTUHNPAUSA-N
XLogP2.43
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(4-hydroxyphenyl)methylideneamino]acetate
CID 135509911
propyl 2-[(4-methylphenyl)methylideneamino]acetate
CID 141262028
ethyl 2-[(2-methylphenyl)methylideneamino]acetate
CID 15468535
ethyl 5-(4-bromophenyl)-3-oxopent-4-enoate
CID 54174182
ethyl 2-(4-bromo-N-methylanilino)acetate
CID 102265686
methyl 2-(benzylideneamino)acetate
CID 132550307
ethyl 2-[(E)-[(E)-4-(4-bromophenyl)but-3-en-2-ylidene]amino]oxyacetate
CID 155811483
ethyl (3S)-3-(4-bromophenyl)butanoate
CID 90210718
methyl 2-[(E)-(4-bromophenyl)methylideneamino]oxyacetate
CID 23004808
ethyl (E)-3-[4-(4-bromophenyl)phenyl]prop-2-enoate
CID 10544468
ethyl (2Z)-2-[(4-bromophenyl)methylidene]-3-oxobutanoate
CID 5388614
2,2,2-trifluoroethyl 2-(benzylideneamino)acetate
CID 102600153

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-bromophenyl)methylideneamino]acetate?
The IUPAC name of ethyl 2-[(4-bromophenyl)methylideneamino]acetate (CID 10492236) is ethyl 2-[(4-bromophenyl)methylideneamino]acetate.
What is the SMILES notation for ethyl 2-[(4-bromophenyl)methylideneamino]acetate?
The canonical SMILES for ethyl 2-[(4-bromophenyl)methylideneamino]acetate is CCOC(=O)C/N=C/c1ccc(Br)cc1.
What is the InChIKey of ethyl 2-[(4-bromophenyl)methylideneamino]acetate?
The InChIKey is IALNZIXCZAMLQT-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-2-15-11(14)8-13-7-9-3-5-10(12)6-4-9/h3-7H,2,8H2,1H3/b13-7+.
What are the key properties of ethyl 2-[(4-bromophenyl)methylideneamino]acetate?
ethyl 2-[(4-bromophenyl)methylideneamino]acetate has a molecular weight of 270.13 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-bromophenyl)methylideneamino]acetate is sourced from PubChem (CID 10492236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).