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

C23H18F3NO — CID 57113593

IUPAC3-methylimino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILESC/N=C1\CC(c2cccc3ccccc23)C(=O)C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H18F3NO/c1-27-20-13-19(18-11-5-7-14-6-2-3-10-17(14)18)22(28)21(20)15-8-4-9-16(12-15)23(24,25)26/h2-12,19,21H,13H2,1H3/b27-20+
InChIKeyVGAHTROMCVVNCO-NHFJDJAPSA-N
MW381.40 g/mol
LogP5.77
Rot. Bonds2

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

3-methylimino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one (PubChem CID 57113593) has the molecular formula C23H18F3NO and a molecular weight of 381.40 g/mol. Its IUPAC name is 3-methylimino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-methylimino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
PubChem CID57113593
Molecular FormulaC23H18F3NO
Molecular Weight381.40 g/mol
Exact Mass381.13
IUPAC Name3-methylimino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILESC/N=C1\CC(c2cccc3ccccc23)C(=O)C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H18F3NO/c1-27-20-13-19(18-11-5-7-14-6-2-3-10-17(14)18)22(28)21(20)15-8-4-9-16(12-15)23(24,25)26/h2-12,19,21H,13H2,1H3/b27-20+
InChIKeyVGAHTROMCVVNCO-NHFJDJAPSA-N
XLogP5.77
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.40
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Methylimino-2-(naphthalen-1-ylmethylidene)-4-[3-(trifluoromethyl)phenyl]thiolan-3-one
CID 54439544
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-Methylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 57028376
5-(3-Chloro-8-fluoronaphthalen-1-yl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 57033240
3-Imino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 57039382
3-Ethylimino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 57041257
5-Ethyl-3-ethylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 57046236
2-[4-Bromo-3-(trifluoromethyl)phenyl]-3-methylimino-5-naphthalen-1-ylcyclopentan-1-one
CID 57050946
3-Ethylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 57054178
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

Frequently Asked Questions

What is the IUPAC name of 3-methylimino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The IUPAC name of 3-methylimino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one (CID 57113593) is 3-methylimino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one.
What is the SMILES notation for 3-methylimino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The canonical SMILES for 3-methylimino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one is C/N=C1\CC(c2cccc3ccccc23)C(=O)C1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-methylimino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The InChIKey is VGAHTROMCVVNCO-NHFJDJAPSA-N. The full InChI is InChI=1S/C23H18F3NO/c1-27-20-13-19(18-11-5-7-14-6-2-3-10-17(14)18)22(28)21(20)15-8-4-9-16(12-15)23(24,25)26/h2-12,19,21H,13H2,1H3/b27-20+.
What are the key properties of 3-methylimino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
3-methylimino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one has a molecular weight of 381.40 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one is sourced from PubChem (CID 57113593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).