methyl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate

C16H14FNO3 — CID 135079465

IUPACmethyl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate
SMILESCOC(=O)/C(=N\c1ccc(OC)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H14FNO3/c1-20-14-9-7-13(8-10-14)18-15(16(19)21-2)11-3-5-12(17)6-4-11/h3-10H,1-2H3/b18-15-
InChIKeyGSTCAQBJNZFMIO-SDXDJHTJSA-N
MW287.29 g/mol
LogP3.13
Rot. Bonds4

About methyl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate

methyl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate (PubChem CID 135079465) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate
PubChem CID135079465
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Namemethyl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate
SMILESCOC(=O)/C(=N\c1ccc(OC)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H14FNO3/c1-20-14-9-7-13(8-10-14)18-15(16(19)21-2)11-3-5-12(17)6-4-11/h3-10H,1-2H3/b18-15-
InChIKeyGSTCAQBJNZFMIO-SDXDJHTJSA-N
XLogP3.13
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate 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

methyl 2-(4-methoxyphenyl)imino-2-phenylacetate
CID 11659050
ethyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate
CID 11370410
N-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanimine
CID 139246217
propan-2-yl 2-(4-methoxyphenyl)imino-2-phenylacetate
CID 102078697
ethyl 2-(4-bromophenyl)-2-(4-methoxyphenyl)iminoacetate
CID 135078809
ethyl 2-(3-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate
CID 45102978
1-(4-chlorophenyl)-2-fluoro-N-(4-methoxyphenyl)prop-2-en-1-imine
CID 101158528
N-(4-fluoroanilino)-N'-(4-methoxyphenyl)-3,3-dimethyl-2-oxobutanimidamide
CID 68918230
methyl (E)-2-acetamido-3-(4-fluorophenyl)-3-(4-methoxyanilino)prop-2-enoate
CID 102495981
methyl 3-methoxy-3-(4-methoxyphenyl)iminopropanoate
CID 10847464
N-[1-(4-fluorophenyl)cyclopropyl]-4-methoxybenzamide
CID 110440290
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate?
The IUPAC name of methyl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate (CID 135079465) is methyl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate is COC(=O)/C(=N\c1ccc(OC)cc1)c1ccc(F)cc1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate?
The InChIKey is GSTCAQBJNZFMIO-SDXDJHTJSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-20-14-9-7-13(8-10-14)18-15(16(19)21-2)11-3-5-12(17)6-4-11/h3-10H,1-2H3/b18-15-.
What are the key properties of methyl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate?
methyl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate has a molecular weight of 287.29 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate is sourced from PubChem (CID 135079465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).