5-(2,3-dichlorophenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one

C19H14Cl2F3NO — CID 57035911

IUPAC5-(2,3-dichlorophenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILESC/N=C1\CC(c2cccc(Cl)c2Cl)C(=O)C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H14Cl2F3NO/c1-25-15-9-13(12-6-3-7-14(20)17(12)21)18(26)16(15)10-4-2-5-11(8-10)19(22,23)24/h2-8,13,16H,9H2,1H3/b25-15+
InChIKeyUAZHAELNMQFTDR-MFKUBSTISA-N
MW400.23 g/mol
LogP5.92
Rot. Bonds2

About 5-(2,3-dichlorophenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one

5-(2,3-dichlorophenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one (PubChem CID 57035911) has the molecular formula C19H14Cl2F3NO and a molecular weight of 400.23 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
PubChem CID57035911
Molecular FormulaC19H14Cl2F3NO
Molecular Weight400.23 g/mol
Exact Mass399.04
IUPAC Name5-(2,3-dichlorophenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILESC/N=C1\CC(c2cccc(Cl)c2Cl)C(=O)C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H14Cl2F3NO/c1-25-15-9-13(12-6-3-7-14(20)17(12)21)18(26)16(15)10-4-2-5-11(8-10)19(22,23)24/h2-8,13,16H,9H2,1H3/b25-15+
InChIKeyUAZHAELNMQFTDR-MFKUBSTISA-N
XLogP5.92
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.23
LogP ≤ 55.92
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 5-(2,3-dichlorophenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The IUPAC name of 5-(2,3-dichlorophenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one (CID 57035911) is 5-(2,3-dichlorophenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The canonical SMILES for 5-(2,3-dichlorophenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one is C/N=C1\CC(c2cccc(Cl)c2Cl)C(=O)C1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-(2,3-dichlorophenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The InChIKey is UAZHAELNMQFTDR-MFKUBSTISA-N. The full InChI is InChI=1S/C19H14Cl2F3NO/c1-25-15-9-13(12-6-3-7-14(20)17(12)21)18(26)16(15)10-4-2-5-11(8-10)19(22,23)24/h2-8,13,16H,9H2,1H3/b25-15+.
What are the key properties of 5-(2,3-dichlorophenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
5-(2,3-dichlorophenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one has a molecular weight of 400.23 g/mol, XLogP of 5.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one is sourced from PubChem (CID 57035911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).