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

C20H18F3NO — CID 15672503

IUPAC3-(ethylamino)-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
SMILESCCNC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(c2ccccc2)C1
InChIInChI=1S/C20H18F3NO/c1-2-24-17-12-16(13-7-4-3-5-8-13)19(25)18(17)14-9-6-10-15(11-14)20(21,22)23/h3-11,16,24H,2,12H2,1H3
InChIKeySNIOBQCEOVQKQP-UHFFFAOYSA-N
MW345.36 g/mol
LogP4.78
Rot. Bonds4

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

3-(ethylamino)-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one (PubChem CID 15672503) has the molecular formula C20H18F3NO and a molecular weight of 345.36 g/mol. Its IUPAC name is 3-(ethylamino)-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(ethylamino)-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
PubChem CID15672503
Molecular FormulaC20H18F3NO
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name3-(ethylamino)-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
SMILESCCNC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(c2ccccc2)C1
InChIInChI=1S/C20H18F3NO/c1-2-24-17-12-16(13-7-4-3-5-8-13)19(25)18(17)14-9-6-10-15(11-14)20(21,22)23/h3-11,16,24H,2,12H2,1H3
InChIKeySNIOBQCEOVQKQP-UHFFFAOYSA-N
XLogP4.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The IUPAC name of 3-(ethylamino)-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one (CID 15672503) is 3-(ethylamino)-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-(ethylamino)-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The canonical SMILES for 3-(ethylamino)-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one is CCNC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(c2ccccc2)C1.
What is the InChIKey of 3-(ethylamino)-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The InChIKey is SNIOBQCEOVQKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO/c1-2-24-17-12-16(13-7-4-3-5-8-13)19(25)18(17)14-9-6-10-15(11-14)20(21,22)23/h3-11,16,24H,2,12H2,1H3.
What are the key properties of 3-(ethylamino)-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
3-(ethylamino)-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one has a molecular weight of 345.36 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one is sourced from PubChem (CID 15672503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).