ethyl 2-(4-bromophenyl)-2-(4-methoxyphenyl)iminoacetate

C17H16BrNO3 — CID 135078809

IUPACethyl 2-(4-bromophenyl)-2-(4-methoxyphenyl)iminoacetate
SMILESCCOC(=O)/C(=N\c1ccc(OC)cc1)c1ccc(Br)cc1
InChIInChI=1S/C17H16BrNO3/c1-3-22-17(20)16(12-4-6-13(18)7-5-12)19-14-8-10-15(21-2)11-9-14/h4-11H,3H2,1-2H3/b19-16-
InChIKeyBYLGPRVAAKCFMZ-MNDPQUGUSA-N
MW362.22 g/mol
LogP4.14
Rot. Bonds5

About ethyl 2-(4-bromophenyl)-2-(4-methoxyphenyl)iminoacetate

ethyl 2-(4-bromophenyl)-2-(4-methoxyphenyl)iminoacetate (PubChem CID 135078809) has the molecular formula C17H16BrNO3 and a molecular weight of 362.22 g/mol. Its IUPAC name is ethyl 2-(4-bromophenyl)-2-(4-methoxyphenyl)iminoacetate.

Molecular Properties

Compound Nameethyl 2-(4-bromophenyl)-2-(4-methoxyphenyl)iminoacetate
PubChem CID135078809
Molecular FormulaC17H16BrNO3
Molecular Weight362.22 g/mol
Exact Mass361.03
IUPAC Nameethyl 2-(4-bromophenyl)-2-(4-methoxyphenyl)iminoacetate
SMILESCCOC(=O)/C(=N\c1ccc(OC)cc1)c1ccc(Br)cc1
InChIInChI=1S/C17H16BrNO3/c1-3-22-17(20)16(12-4-6-13(18)7-5-12)19-14-8-10-15(21-2)11-9-14/h4-11H,3H2,1-2H3/b19-16-
InChIKeyBYLGPRVAAKCFMZ-MNDPQUGUSA-N
XLogP4.14
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate
CID 11370410
ethyl 2-(3-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate
CID 45102978
methyl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate
CID 135079465
methyl 2-(4-methoxyphenyl)imino-2-phenylacetate
CID 11659050
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
ethyl (E)-3-(4-methoxyphenyl)-2-methylbut-2-enoate
CID 14981539
propan-2-yl 2-(4-methoxyphenyl)imino-2-phenylacetate
CID 102078697
ethyl 3,3-bis(4-methoxyphenyl)-2-methylprop-2-enoate
CID 19421674
ethyl 3-(4-bromophenyl)-2,3-dioxopropanoate
CID 132514672
diethyl 2-[amino-(4-bromophenyl)methylidene]propanedioate
CID 135043315
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 2-bromo-3-(4-methoxyphenyl)imino-3-phenylpropanoate
CID 154707933

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromophenyl)-2-(4-methoxyphenyl)iminoacetate?
The IUPAC name of ethyl 2-(4-bromophenyl)-2-(4-methoxyphenyl)iminoacetate (CID 135078809) is ethyl 2-(4-bromophenyl)-2-(4-methoxyphenyl)iminoacetate.
What is the SMILES notation for ethyl 2-(4-bromophenyl)-2-(4-methoxyphenyl)iminoacetate?
The canonical SMILES for ethyl 2-(4-bromophenyl)-2-(4-methoxyphenyl)iminoacetate is CCOC(=O)/C(=N\c1ccc(OC)cc1)c1ccc(Br)cc1.
What is the InChIKey of ethyl 2-(4-bromophenyl)-2-(4-methoxyphenyl)iminoacetate?
The InChIKey is BYLGPRVAAKCFMZ-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H16BrNO3/c1-3-22-17(20)16(12-4-6-13(18)7-5-12)19-14-8-10-15(21-2)11-9-14/h4-11H,3H2,1-2H3/b19-16-.
What are the key properties of ethyl 2-(4-bromophenyl)-2-(4-methoxyphenyl)iminoacetate?
ethyl 2-(4-bromophenyl)-2-(4-methoxyphenyl)iminoacetate has a molecular weight of 362.22 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromophenyl)-2-(4-methoxyphenyl)iminoacetate is sourced from PubChem (CID 135078809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).