ethyl 2-(3,5-difluorophenyl)-2-(4-methoxyphenyl)iminoacetate

C17H15F2NO3 — CID 135079110

IUPACethyl 2-(3,5-difluorophenyl)-2-(4-methoxyphenyl)iminoacetate
SMILESCCOC(=O)/C(=N\c1ccc(OC)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C17H15F2NO3/c1-3-23-17(21)16(11-8-12(18)10-13(19)9-11)20-14-4-6-15(22-2)7-5-14/h4-10H,3H2,1-2H3/b20-16-
InChIKeyNEHIOPMORSNEHS-SILNSSARSA-N
MW319.31 g/mol
LogP3.66
Rot. Bonds5

About ethyl 2-(3,5-difluorophenyl)-2-(4-methoxyphenyl)iminoacetate

ethyl 2-(3,5-difluorophenyl)-2-(4-methoxyphenyl)iminoacetate (PubChem CID 135079110) has the molecular formula C17H15F2NO3 and a molecular weight of 319.31 g/mol. Its IUPAC name is ethyl 2-(3,5-difluorophenyl)-2-(4-methoxyphenyl)iminoacetate.

Molecular Properties

Compound Nameethyl 2-(3,5-difluorophenyl)-2-(4-methoxyphenyl)iminoacetate
PubChem CID135079110
Molecular FormulaC17H15F2NO3
Molecular Weight319.31 g/mol
Exact Mass319.10
IUPAC Nameethyl 2-(3,5-difluorophenyl)-2-(4-methoxyphenyl)iminoacetate
SMILESCCOC(=O)/C(=N\c1ccc(OC)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C17H15F2NO3/c1-3-23-17(21)16(11-8-12(18)10-13(19)9-11)20-14-4-6-15(22-2)7-5-14/h4-10H,3H2,1-2H3/b20-16-
InChIKeyNEHIOPMORSNEHS-SILNSSARSA-N
XLogP3.66
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 53.66
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

2H-1,4-Benzoxazin-2-one, 3-phenyl-
CID 10751558
(4-{[(E)-(4-methoxyphenyl)methylidene]amino}phenyl)acetic acid
CID 4155321
4-(1-((4-Methoxyphenyl)imino)ethyl)-5-phenyl-2,3-furandione
CID 3021287
Methyl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate
CID 135079465
Benzyl 3,3,3-trifluoro-2-(4-methoxyphenyl)iminopropanoate
CID 11078235
[(E)-5-phenylpent-2-enyl] 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidate
CID 11245421
1-(2-fluorophenyl)-N-(4-methoxyphenyl)ethanimine
CID 11299513
Methyl 2-(3-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate
CID 11977325
N-[alpha-(Trifluoromethyl)benzylidene]-4-methoxyaniline
CID 15887138
Tert-butyl 4-(3-fluorophenyl)-2-(4-methoxyphenyl)iminobut-3-ynoate
CID 24881286
2,2,2-trifluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine
CID 56590726
Methyl 2-(2-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate
CID 60166816

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-difluorophenyl)-2-(4-methoxyphenyl)iminoacetate?
The IUPAC name of ethyl 2-(3,5-difluorophenyl)-2-(4-methoxyphenyl)iminoacetate (CID 135079110) is ethyl 2-(3,5-difluorophenyl)-2-(4-methoxyphenyl)iminoacetate.
What is the SMILES notation for ethyl 2-(3,5-difluorophenyl)-2-(4-methoxyphenyl)iminoacetate?
The canonical SMILES for ethyl 2-(3,5-difluorophenyl)-2-(4-methoxyphenyl)iminoacetate is CCOC(=O)/C(=N\c1ccc(OC)cc1)c1cc(F)cc(F)c1.
What is the InChIKey of ethyl 2-(3,5-difluorophenyl)-2-(4-methoxyphenyl)iminoacetate?
The InChIKey is NEHIOPMORSNEHS-SILNSSARSA-N. The full InChI is InChI=1S/C17H15F2NO3/c1-3-23-17(21)16(11-8-12(18)10-13(19)9-11)20-14-4-6-15(22-2)7-5-14/h4-10H,3H2,1-2H3/b20-16-.
What are the key properties of ethyl 2-(3,5-difluorophenyl)-2-(4-methoxyphenyl)iminoacetate?
ethyl 2-(3,5-difluorophenyl)-2-(4-methoxyphenyl)iminoacetate has a molecular weight of 319.31 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-difluorophenyl)-2-(4-methoxyphenyl)iminoacetate is sourced from PubChem (CID 135079110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).