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

C23H18F3NO — CID 57219402

IUPAC3-imino-5-(3-methylnaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILES[H]/N=C1\CC(c2cc(C)cc3ccccc23)C(=O)C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H18F3NO/c1-13-9-14-5-2-3-8-17(14)18(10-13)19-12-20(27)21(22(19)28)15-6-4-7-16(11-15)23(24,25)26/h2-11,19,21,27H,12H2,1H3/b27-20+
InChIKeyWBPYWJVOORHLCI-NHFJDJAPSA-N
MW381.40 g/mol
LogP6.03
Rot. Bonds2

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

3-imino-5-(3-methylnaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one (PubChem CID 57219402) has the molecular formula C23H18F3NO and a molecular weight of 381.40 g/mol. Its IUPAC name is 3-imino-5-(3-methylnaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-imino-5-(3-methylnaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
PubChem CID57219402
Molecular FormulaC23H18F3NO
Molecular Weight381.40 g/mol
Exact Mass381.13
IUPAC Name3-imino-5-(3-methylnaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILES[H]/N=C1\CC(c2cc(C)cc3ccccc23)C(=O)C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H18F3NO/c1-13-9-14-5-2-3-8-17(14)18(10-13)19-12-20(27)21(22(19)28)15-6-4-7-16(11-15)23(24,25)26/h2-11,19,21,27H,12H2,1H3/b27-20+
InChIKeyWBPYWJVOORHLCI-NHFJDJAPSA-N
XLogP6.03
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.40
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Amino-5-(3-methylnaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
CID 22153107
2-[(3-Butylnaphthalen-1-yl)methylidene]-5-imino-4-[3-(trifluoromethyl)phenyl]thiolan-3-one
CID 53830090
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
3-Imino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 57039382
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
3-Methylimino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 57113593
3-Ethylimino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 57127372
2-[3-(Difluoromethyl)phenyl]-3-methylimino-5-phenylcyclopentan-1-one
CID 57166621

Frequently Asked Questions

What is the IUPAC name of 3-imino-5-(3-methylnaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The IUPAC name of 3-imino-5-(3-methylnaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one (CID 57219402) is 3-imino-5-(3-methylnaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one.
What is the SMILES notation for 3-imino-5-(3-methylnaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The canonical SMILES for 3-imino-5-(3-methylnaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one is [H]/N=C1\CC(c2cc(C)cc3ccccc23)C(=O)C1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-imino-5-(3-methylnaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The InChIKey is WBPYWJVOORHLCI-NHFJDJAPSA-N. The full InChI is InChI=1S/C23H18F3NO/c1-13-9-14-5-2-3-8-17(14)18(10-13)19-12-20(27)21(22(19)28)15-6-4-7-16(11-15)23(24,25)26/h2-11,19,21,27H,12H2,1H3/b27-20+.
What are the key properties of 3-imino-5-(3-methylnaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
3-imino-5-(3-methylnaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one has a molecular weight of 381.40 g/mol, XLogP of 6.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-5-(3-methylnaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one is sourced from PubChem (CID 57219402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).