methyl 2,2-bis(4-fluorophenyl)-N-methyl-2-phenylethanimidate

C22H19F2NO — CID 68675723

IUPACmethyl 2,2-bis(4-fluorophenyl)-N-methyl-2-phenylethanimidate
SMILESC/N=C(\OC)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H19F2NO/c1-25-21(26-2)22(16-6-4-3-5-7-16,17-8-12-19(23)13-9-17)18-10-14-20(24)15-11-18/h3-15H,1-2H3/b25-21-
InChIKeyXIAWVSZEKPGJJY-DAFNUICNSA-N
MW351.40 g/mol
LogP4.97
Rot. Bonds4

About methyl 2,2-bis(4-fluorophenyl)-N-methyl-2-phenylethanimidate

methyl 2,2-bis(4-fluorophenyl)-N-methyl-2-phenylethanimidate (PubChem CID 68675723) has the molecular formula C22H19F2NO and a molecular weight of 351.40 g/mol. Its IUPAC name is methyl 2,2-bis(4-fluorophenyl)-N-methyl-2-phenylethanimidate.

Molecular Properties

Compound Namemethyl 2,2-bis(4-fluorophenyl)-N-methyl-2-phenylethanimidate
PubChem CID68675723
Molecular FormulaC22H19F2NO
Molecular Weight351.40 g/mol
Exact Mass351.14
IUPAC Namemethyl 2,2-bis(4-fluorophenyl)-N-methyl-2-phenylethanimidate
SMILESC/N=C(\OC)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H19F2NO/c1-25-21(26-2)22(16-6-4-3-5-7-16,17-8-12-19(23)13-9-17)18-10-14-20(24)15-11-18/h3-15H,1-2H3/b25-21-
InChIKeyXIAWVSZEKPGJJY-DAFNUICNSA-N
XLogP4.97
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2-bis(4-fluorophenyl)-N-methyl-2-phenylethanimidate?
The IUPAC name of methyl 2,2-bis(4-fluorophenyl)-N-methyl-2-phenylethanimidate (CID 68675723) is methyl 2,2-bis(4-fluorophenyl)-N-methyl-2-phenylethanimidate.
What is the SMILES notation for methyl 2,2-bis(4-fluorophenyl)-N-methyl-2-phenylethanimidate?
The canonical SMILES for methyl 2,2-bis(4-fluorophenyl)-N-methyl-2-phenylethanimidate is C/N=C(\OC)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of methyl 2,2-bis(4-fluorophenyl)-N-methyl-2-phenylethanimidate?
The InChIKey is XIAWVSZEKPGJJY-DAFNUICNSA-N. The full InChI is InChI=1S/C22H19F2NO/c1-25-21(26-2)22(16-6-4-3-5-7-16,17-8-12-19(23)13-9-17)18-10-14-20(24)15-11-18/h3-15H,1-2H3/b25-21-.
What are the key properties of methyl 2,2-bis(4-fluorophenyl)-N-methyl-2-phenylethanimidate?
methyl 2,2-bis(4-fluorophenyl)-N-methyl-2-phenylethanimidate has a molecular weight of 351.40 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-bis(4-fluorophenyl)-N-methyl-2-phenylethanimidate is sourced from PubChem (CID 68675723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).