3-imino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one

C22H16F3NO — CID 57039382

IUPAC3-imino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILES[H]/N=C1\CC(c2cccc3ccccc23)C(=O)C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H16F3NO/c23-22(24,25)15-8-3-7-14(11-15)20-19(26)12-18(21(20)27)17-10-4-6-13-5-1-2-9-16(13)17/h1-11,18,20,26H,12H2/b26-19+
InChIKeyCADZYSDVSYYOJN-LGUFXXKBSA-N
MW367.37 g/mol
LogP5.72
Rot. Bonds2

About 3-imino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one

3-imino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one (PubChem CID 57039382) has the molecular formula C22H16F3NO and a molecular weight of 367.37 g/mol. Its IUPAC name is 3-imino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-imino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
PubChem CID57039382
Molecular FormulaC22H16F3NO
Molecular Weight367.37 g/mol
Exact Mass367.12
IUPAC Name3-imino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILES[H]/N=C1\CC(c2cccc3ccccc23)C(=O)C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H16F3NO/c23-22(24,25)15-8-3-7-14(11-15)20-19(26)12-18(21(20)27)17-10-4-6-13-5-1-2-9-16(13)17/h1-11,18,20,26H,12H2/b26-19+
InChIKeyCADZYSDVSYYOJN-LGUFXXKBSA-N
XLogP5.72
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.37
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-imino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Amino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
CID 22153097
5-Imino-2-(naphthalen-1-ylmethylidene)-4-[3-(trifluoromethyl)phenyl]thiolan-3-one
CID 53939192
3-Imino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 56985728
3-Imino-4-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 56991004
5-(3-Chloro-8-fluoronaphthalen-1-yl)-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 57015963
3-Imino-5-methyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 57034527
5-Cyclopentyl-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 57036328
3-Ethylimino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 57041257
3-Imino-2-[4-methyl-3-(trifluoromethyl)phenyl]-5-phenylcyclopentan-1-one
CID 57061320
3-imino-5-(1H-inden-1-yl)-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 57068050
3-Imino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 57080789
2-[4-Bromo-3-(trifluoromethyl)phenyl]-3-imino-5-naphthalen-1-ylcyclopentan-1-one
CID 57081443

Frequently Asked Questions

What is the IUPAC name of 3-imino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The IUPAC name of 3-imino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one (CID 57039382) is 3-imino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one.
What is the SMILES notation for 3-imino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The canonical SMILES for 3-imino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one is [H]/N=C1\CC(c2cccc3ccccc23)C(=O)C1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-imino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The InChIKey is CADZYSDVSYYOJN-LGUFXXKBSA-N. The full InChI is InChI=1S/C22H16F3NO/c23-22(24,25)15-8-3-7-14(11-15)20-19(26)12-18(21(20)27)17-10-4-6-13-5-1-2-9-16(13)17/h1-11,18,20,26H,12H2/b26-19+.
What are the key properties of 3-imino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
3-imino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one has a molecular weight of 367.37 g/mol, XLogP of 5.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one is sourced from PubChem (CID 57039382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).