4-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one

C17H11F4NO — CID 13300325

IUPAC4-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one
SMILESO=C1NCC(c2ccc(C(F)(F)F)cc2)=C1c1ccc(F)cc1
InChIInChI=1S/C17H11F4NO/c18-13-7-3-11(4-8-13)15-14(9-22-16(15)23)10-1-5-12(6-2-10)17(19,20)21/h1-8H,9H2,(H,22,23)
InChIKeyQZSANDZKAKLRPX-UHFFFAOYSA-N
MW321.27 g/mol
LogP3.89
Rot. Bonds2

About 4-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one

4-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one (PubChem CID 13300325) has the molecular formula C17H11F4NO and a molecular weight of 321.27 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one
PubChem CID13300325
Molecular FormulaC17H11F4NO
Molecular Weight321.27 g/mol
Exact Mass321.08
IUPAC Name4-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one
SMILESO=C1NCC(c2ccc(C(F)(F)F)cc2)=C1c1ccc(F)cc1
InChIInChI=1S/C17H11F4NO/c18-13-7-3-11(4-8-13)15-14(9-22-16(15)23)10-1-5-12(6-2-10)17(19,20)21/h1-8H,9H2,(H,22,23)
InChIKeyQZSANDZKAKLRPX-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.27
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 138516
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2-Fluoro-N-(2-phenylethyl)benzamide
CID 579557
N-benzyl-2,3,4,5,6-pentafluorobenzamide
CID 658155
N-(4-fluorobenzyl)-2-phenylacetamide
CID 881070
N-benzyl-3,4-difluorobenzamide
CID 1294460
N-[2-(4-fluorophenyl)ethyl]-3-phenylpropanamide
CID 2287814
N-cyclopentyl-2-(4-phenylphenyl)acetamide
CID 2530160
N-benzyl-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 2604336
N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide
CID 2914347
pentafluorobenzoyl-N-phenylethylamine
CID 38105

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one (CID 13300325) is 4-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one is O=C1NCC(c2ccc(C(F)(F)F)cc2)=C1c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one?
The InChIKey is QZSANDZKAKLRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4NO/c18-13-7-3-11(4-8-13)15-14(9-22-16(15)23)10-1-5-12(6-2-10)17(19,20)21/h1-8H,9H2,(H,22,23).
What are the key properties of 4-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one?
4-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one has a molecular weight of 321.27 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 13300325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).