5-benzyl-3-methylimino-2-[2-propan-2-yloxy-3-(trifluoromethyl)phenyl]cyclopentan-1-one

C23H24F3NO2 — CID 57156290

IUPAC5-benzyl-3-methylimino-2-[2-propan-2-yloxy-3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILESC/N=C1\CC(Cc2ccccc2)C(=O)C1c1cccc(C(F)(F)F)c1OC(C)C
InChIInChI=1S/C23H24F3NO2/c1-14(2)29-22-17(10-7-11-18(22)23(24,25)26)20-19(27-3)13-16(21(20)28)12-15-8-5-4-6-9-15/h4-11,14,16,20H,12-13H2,1-3H3/b27-19+
InChIKeyZYJQMOYEEGHACW-ZXVVBBHZSA-N
MW403.44 g/mol
LogP5.48
Rot. Bonds5

About 5-benzyl-3-methylimino-2-[2-propan-2-yloxy-3-(trifluoromethyl)phenyl]cyclopentan-1-one

5-benzyl-3-methylimino-2-[2-propan-2-yloxy-3-(trifluoromethyl)phenyl]cyclopentan-1-one (PubChem CID 57156290) has the molecular formula C23H24F3NO2 and a molecular weight of 403.44 g/mol. Its IUPAC name is 5-benzyl-3-methylimino-2-[2-propan-2-yloxy-3-(trifluoromethyl)phenyl]cyclopentan-1-one.

Molecular Properties

Compound Name5-benzyl-3-methylimino-2-[2-propan-2-yloxy-3-(trifluoromethyl)phenyl]cyclopentan-1-one
PubChem CID57156290
Molecular FormulaC23H24F3NO2
Molecular Weight403.44 g/mol
Exact Mass403.18
IUPAC Name5-benzyl-3-methylimino-2-[2-propan-2-yloxy-3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILESC/N=C1\CC(Cc2ccccc2)C(=O)C1c1cccc(C(F)(F)F)c1OC(C)C
InChIInChI=1S/C23H24F3NO2/c1-14(2)29-22-17(10-7-11-18(22)23(24,25)26)20-19(27-3)13-16(21(20)28)12-15-8-5-4-6-9-15/h4-11,14,16,20H,12-13H2,1-3H3/b27-19+
InChIKeyZYJQMOYEEGHACW-ZXVVBBHZSA-N
XLogP5.48
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.44
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-benzyl-3-methylimino-2-[2-propan-2-yloxy-3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The IUPAC name of 5-benzyl-3-methylimino-2-[2-propan-2-yloxy-3-(trifluoromethyl)phenyl]cyclopentan-1-one (CID 57156290) is 5-benzyl-3-methylimino-2-[2-propan-2-yloxy-3-(trifluoromethyl)phenyl]cyclopentan-1-one.
What is the SMILES notation for 5-benzyl-3-methylimino-2-[2-propan-2-yloxy-3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The canonical SMILES for 5-benzyl-3-methylimino-2-[2-propan-2-yloxy-3-(trifluoromethyl)phenyl]cyclopentan-1-one is C/N=C1\CC(Cc2ccccc2)C(=O)C1c1cccc(C(F)(F)F)c1OC(C)C.
What is the InChIKey of 5-benzyl-3-methylimino-2-[2-propan-2-yloxy-3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The InChIKey is ZYJQMOYEEGHACW-ZXVVBBHZSA-N. The full InChI is InChI=1S/C23H24F3NO2/c1-14(2)29-22-17(10-7-11-18(22)23(24,25)26)20-19(27-3)13-16(21(20)28)12-15-8-5-4-6-9-15/h4-11,14,16,20H,12-13H2,1-3H3/b27-19+.
What are the key properties of 5-benzyl-3-methylimino-2-[2-propan-2-yloxy-3-(trifluoromethyl)phenyl]cyclopentan-1-one?
5-benzyl-3-methylimino-2-[2-propan-2-yloxy-3-(trifluoromethyl)phenyl]cyclopentan-1-one has a molecular weight of 403.44 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-methylimino-2-[2-propan-2-yloxy-3-(trifluoromethyl)phenyl]cyclopentan-1-one is sourced from PubChem (CID 57156290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).