2-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylimino-5-phenylcyclopentan-1-one

C19H15ClF3NO — CID 57003531

IUPAC2-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylimino-5-phenylcyclopentan-1-one
SMILESC/N=C1\CC(c2ccccc2)C(=O)C1c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C19H15ClF3NO/c1-24-16-10-15(11-5-3-2-4-6-11)18(25)17(16)12-7-13(19(21,22)23)9-14(20)8-12/h2-9,15,17H,10H2,1H3/b24-16+
InChIKeyYXDCOJZIRAENJQ-LFVJCYFKSA-N
MW365.78 g/mol
LogP5.27
Rot. Bonds2

About 2-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylimino-5-phenylcyclopentan-1-one

2-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylimino-5-phenylcyclopentan-1-one (PubChem CID 57003531) has the molecular formula C19H15ClF3NO and a molecular weight of 365.78 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylimino-5-phenylcyclopentan-1-one.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylimino-5-phenylcyclopentan-1-one
PubChem CID57003531
Molecular FormulaC19H15ClF3NO
Molecular Weight365.78 g/mol
Exact Mass365.08
IUPAC Name2-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylimino-5-phenylcyclopentan-1-one
SMILESC/N=C1\CC(c2ccccc2)C(=O)C1c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C19H15ClF3NO/c1-24-16-10-15(11-5-3-2-4-6-11)18(25)17(16)12-7-13(19(21,22)23)9-14(20)8-12/h2-9,15,17H,10H2,1H3/b24-16+
InChIKeyYXDCOJZIRAENJQ-LFVJCYFKSA-N
XLogP5.27
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.78
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylimino-5-phenylcyclopentan-1-one?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylimino-5-phenylcyclopentan-1-one (CID 57003531) is 2-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylimino-5-phenylcyclopentan-1-one.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylimino-5-phenylcyclopentan-1-one?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylimino-5-phenylcyclopentan-1-one is C/N=C1\CC(c2ccccc2)C(=O)C1c1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylimino-5-phenylcyclopentan-1-one?
The InChIKey is YXDCOJZIRAENJQ-LFVJCYFKSA-N. The full InChI is InChI=1S/C19H15ClF3NO/c1-24-16-10-15(11-5-3-2-4-6-11)18(25)17(16)12-7-13(19(21,22)23)9-14(20)8-12/h2-9,15,17H,10H2,1H3/b24-16+.
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylimino-5-phenylcyclopentan-1-one?
2-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylimino-5-phenylcyclopentan-1-one has a molecular weight of 365.78 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylimino-5-phenylcyclopentan-1-one is sourced from PubChem (CID 57003531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).