3-(ethylamino)-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one

C24H20F3NO — CID 22153157

IUPAC3-(ethylamino)-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
SMILESCCNC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(c2cccc3ccccc23)C1
InChIInChI=1S/C24H20F3NO/c1-2-28-21-14-20(19-12-6-8-15-7-3-4-11-18(15)19)23(29)22(21)16-9-5-10-17(13-16)24(25,26)27/h3-13,20,28H,2,14H2,1H3
InChIKeyGCHZZYOPBKOGIV-UHFFFAOYSA-N
MW395.42 g/mol
LogP5.94
Rot. Bonds4

About 3-(ethylamino)-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one

3-(ethylamino)-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one (PubChem CID 22153157) has the molecular formula C24H20F3NO and a molecular weight of 395.42 g/mol. Its IUPAC name is 3-(ethylamino)-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(ethylamino)-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
PubChem CID22153157
Molecular FormulaC24H20F3NO
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name3-(ethylamino)-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
SMILESCCNC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(c2cccc3ccccc23)C1
InChIInChI=1S/C24H20F3NO/c1-2-28-21-14-20(19-12-6-8-15-7-3-4-11-18(15)19)23(29)22(21)16-9-5-10-17(13-16)24(25,26)27/h3-13,20,28H,2,14H2,1H3
InChIKeyGCHZZYOPBKOGIV-UHFFFAOYSA-N
XLogP5.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.42
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-3-(ethylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
CID 22153153
5-ethyl-3-(methoxymethylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
CID 22153223
5-cyclopentyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
CID 22153254
3-amino-5-(fluoromethyl)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
CID 22153066
methyl 2-[[4-naphthalen-1-yl-3-oxo-2-[3-(trifluoromethyl)phenyl]cyclopentylidene]amino]butanoate
CID 57088484
2-[3-(trifluoromethyl)phenyl]naphthalene-1-carbaldehyde
CID 175968223
methyl N-[4-ethyl-3-oxo-2-[3-(trifluoromethyl)phenyl]cyclopenten-1-yl]-N-methylcarbamate
CID 70426462
3-amino-5-[8-methoxy-3-methyl-2-(trifluoromethyl)naphthalen-1-yl]-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
CID 22153191
5-amino-2-(1-phenylethyl)-4-[3-(trifluoromethyl)phenyl]furan-3-one
CID 70456358
2-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 5233456
N-ethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
CID 62201435
N-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
CID 3814100

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The IUPAC name of 3-(ethylamino)-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one (CID 22153157) is 3-(ethylamino)-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-(ethylamino)-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The canonical SMILES for 3-(ethylamino)-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one is CCNC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(c2cccc3ccccc23)C1.
What is the InChIKey of 3-(ethylamino)-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The InChIKey is GCHZZYOPBKOGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3NO/c1-2-28-21-14-20(19-12-6-8-15-7-3-4-11-18(15)19)23(29)22(21)16-9-5-10-17(13-16)24(25,26)27/h3-13,20,28H,2,14H2,1H3.
What are the key properties of 3-(ethylamino)-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
3-(ethylamino)-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one has a molecular weight of 395.42 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one is sourced from PubChem (CID 22153157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).