propan-2-yl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate

C18H18FNO3 — CID 135079464

IUPACpropan-2-yl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate
SMILESCOc1ccc(/N=C(\C(=O)OC(C)C)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO3/c1-12(2)23-18(21)17(13-4-6-14(19)7-5-13)20-15-8-10-16(22-3)11-9-15/h4-12H,1-3H3/b20-17-
InChIKeyIRLDFDVYNZNIRK-JZJYNLBNSA-N
MW315.34 g/mol
LogP3.91
Rot. Bonds5

About propan-2-yl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate

propan-2-yl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate (PubChem CID 135079464) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is propan-2-yl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate.

Molecular Properties

Compound Namepropan-2-yl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate
PubChem CID135079464
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Namepropan-2-yl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate
SMILESCOc1ccc(/N=C(\C(=O)OC(C)C)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO3/c1-12(2)23-18(21)17(13-4-6-14(19)7-5-13)20-15-8-10-16(22-3)11-9-15/h4-12H,1-3H3/b20-17-
InChIKeyIRLDFDVYNZNIRK-JZJYNLBNSA-N
XLogP3.91
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate?
The IUPAC name of propan-2-yl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate (CID 135079464) is propan-2-yl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate.
What is the SMILES notation for propan-2-yl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate?
The canonical SMILES for propan-2-yl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate is COc1ccc(/N=C(\C(=O)OC(C)C)c2ccc(F)cc2)cc1.
What is the InChIKey of propan-2-yl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate?
The InChIKey is IRLDFDVYNZNIRK-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-12(2)23-18(21)17(13-4-6-14(19)7-5-13)20-15-8-10-16(22-3)11-9-15/h4-12H,1-3H3/b20-17-.
What are the key properties of propan-2-yl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate?
propan-2-yl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate has a molecular weight of 315.34 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate is sourced from PubChem (CID 135079464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).