ethyl 2-(3-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate

C17H16FNO3 — CID 45102978

IUPACethyl 2-(3-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate
SMILESCCOC(=O)/C(=N\c1ccc(OC)cc1)c1cccc(F)c1
InChIInChI=1S/C17H16FNO3/c1-3-22-17(20)16(12-5-4-6-13(18)11-12)19-14-7-9-15(21-2)10-8-14/h4-11H,3H2,1-2H3/b19-16-
InChIKeyXAJSSWQIZKYQGE-MNDPQUGUSA-N
MW301.32 g/mol
LogP3.52
Rot. Bonds5

About ethyl 2-(3-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate

ethyl 2-(3-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate (PubChem CID 45102978) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is ethyl 2-(3-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate.

Molecular Properties

Compound Nameethyl 2-(3-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate
PubChem CID45102978
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Nameethyl 2-(3-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate
SMILESCCOC(=O)/C(=N\c1ccc(OC)cc1)c1cccc(F)c1
InChIInChI=1S/C17H16FNO3/c1-3-22-17(20)16(12-5-4-6-13(18)11-12)19-14-7-9-15(21-2)10-8-14/h4-11H,3H2,1-2H3/b19-16-
InChIKeyXAJSSWQIZKYQGE-MNDPQUGUSA-N
XLogP3.52
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.52
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-(4-bromophenyl)-2-(4-methoxyphenyl)iminoacetate
CID 135078809
methyl 2-(4-methoxyphenyl)imino-2-phenylacetate
CID 11659050
methyl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate
CID 135079465
[(Z)-(1-amino-2-ethoxy-2-oxoethylidene)amino] 3-fluorobenzoate
CID 178138720
propan-2-yl 2-(4-methoxyphenyl)imino-2-phenylacetate
CID 102078697
[[amino-(4-methoxyphenyl)methylidene]amino] 3-fluorobenzoate
CID 2876742
3-fluoro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide
CID 4286726
[3-(C-ethoxycarbonyl-N-methoxycarbonimidoyl)phenyl] 4-(diaminomethylideneamino)benzoate
CID 54442599
1-(3-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43226534
ethyl 2-bromo-3-(4-methoxyphenyl)imino-3-phenylpropanoate
CID 154707933
ethyl (Z)-2,3-difluoro-4-(4-methoxyphenyl)-4-oxobut-2-enoate
CID 102175200

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate?
The IUPAC name of ethyl 2-(3-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate (CID 45102978) is ethyl 2-(3-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate.
What is the SMILES notation for ethyl 2-(3-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate?
The canonical SMILES for ethyl 2-(3-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate is CCOC(=O)/C(=N\c1ccc(OC)cc1)c1cccc(F)c1.
What is the InChIKey of ethyl 2-(3-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate?
The InChIKey is XAJSSWQIZKYQGE-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-3-22-17(20)16(12-5-4-6-13(18)11-12)19-14-7-9-15(21-2)10-8-14/h4-11H,3H2,1-2H3/b19-16-.
What are the key properties of ethyl 2-(3-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate?
ethyl 2-(3-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate has a molecular weight of 301.32 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate is sourced from PubChem (CID 45102978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).