2-[2-(2-fluorophenyl)-3-methyl-2,3-dihydropyridin-4-yl]-3-(4-methylphenyl)cyclopenta-2,4-dien-1-one

C24H20FNO — CID 91137516

IUPAC2-[2-(2-fluorophenyl)-3-methyl-2,3-dihydropyridin-4-yl]-3-(4-methylphenyl)cyclopenta-2,4-dien-1-one
SMILESCc1ccc(C2=C(C3=CC=NC(c4ccccc4F)C3C)C(=O)C=C2)cc1
InChIInChI=1S/C24H20FNO/c1-15-7-9-17(10-8-15)19-11-12-22(27)23(19)18-13-14-26-24(16(18)2)20-5-3-4-6-21(20)25/h3-14,16,24H,1-2H3
InChIKeyLRGJCYORWGKKSJ-UHFFFAOYSA-N
MW357.43 g/mol
LogP5.41
Rot. Bonds3

About 2-[2-(2-fluorophenyl)-3-methyl-2,3-dihydropyridin-4-yl]-3-(4-methylphenyl)cyclopenta-2,4-dien-1-one

2-[2-(2-fluorophenyl)-3-methyl-2,3-dihydropyridin-4-yl]-3-(4-methylphenyl)cyclopenta-2,4-dien-1-one (PubChem CID 91137516) has the molecular formula C24H20FNO and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)-3-methyl-2,3-dihydropyridin-4-yl]-3-(4-methylphenyl)cyclopenta-2,4-dien-1-one.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)-3-methyl-2,3-dihydropyridin-4-yl]-3-(4-methylphenyl)cyclopenta-2,4-dien-1-one
PubChem CID91137516
Molecular FormulaC24H20FNO
Molecular Weight357.43 g/mol
Exact Mass357.15
IUPAC Name2-[2-(2-fluorophenyl)-3-methyl-2,3-dihydropyridin-4-yl]-3-(4-methylphenyl)cyclopenta-2,4-dien-1-one
SMILESCc1ccc(C2=C(C3=CC=NC(c4ccccc4F)C3C)C(=O)C=C2)cc1
InChIInChI=1S/C24H20FNO/c1-15-7-9-17(10-8-15)19-11-12-22(27)23(19)18-13-14-26-24(16(18)2)20-5-3-4-6-21(20)25/h3-14,16,24H,1-2H3
InChIKeyLRGJCYORWGKKSJ-UHFFFAOYSA-N
XLogP5.41
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.43
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-Ethylphenyl)-2-[4-[1-(2-fluorophenyl)propylimino]but-2-en-2-yl]cyclopenta-2,4-dien-1-one
CID 90738088
2-[5-(1,1-difluoroethyl)-2-phenyl-2H-pyrrol-3-yl]-6-[3-(trifluoromethyl)phenyl]hepta-1,4-dien-3-one
CID 90888330
2-[2-(3-Fluorophenyl)-3-methyl-2,3-dihydropyridin-4-yl]-3-[4-(3-methylbutyl)phenyl]cyclopenta-2,4-dien-1-one
CID 91188948
1-[4-Ethyl-2-[(4-fluorophenyl)methyl]-2,3-dihydropyridin-5-yl]-4-[4-(trifluoromethyl)phenyl]butan-1-one
CID 123350216
1-[5-[N-[1-(4-fluorophenyl)ethyl]-C-methylcarbonimidoyl]-2-[(Z)-1-methyliminopent-2-en-2-yl]phenyl]ethanone
CID 123631141
1-[5-Ethyl-8-(3-fluorophenyl)-4a,8a-dihydroquinolin-7-yl]ethanone
CID 123827216
2-(3-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]-2H-pyridin-3-one
CID 132168374
6-[4-(difluoromethyl)phenyl]-2-(3-fluorophenyl)-4-methyl-2H-pyridin-3-one
CID 132169598
2-Benzhydrylimino-1-(3-fluorophenyl)ethanone
CID 139818856
2-Benzhydrylimino-1-(2-fluorophenyl)ethanone
CID 139818869
4-(3,4-dimethylphenyl)-1-[3-(4-fluorophenyl)-2H-pyrrol-4-yl]butan-1-one
CID 143451600
7-[4-(5-fluoro-3H-isoindol-1-yl)cyclohexyl]-3-propan-2-ylideneheptan-2-one
CID 155106458

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)-3-methyl-2,3-dihydropyridin-4-yl]-3-(4-methylphenyl)cyclopenta-2,4-dien-1-one?
The IUPAC name of 2-[2-(2-fluorophenyl)-3-methyl-2,3-dihydropyridin-4-yl]-3-(4-methylphenyl)cyclopenta-2,4-dien-1-one (CID 91137516) is 2-[2-(2-fluorophenyl)-3-methyl-2,3-dihydropyridin-4-yl]-3-(4-methylphenyl)cyclopenta-2,4-dien-1-one.
What is the SMILES notation for 2-[2-(2-fluorophenyl)-3-methyl-2,3-dihydropyridin-4-yl]-3-(4-methylphenyl)cyclopenta-2,4-dien-1-one?
The canonical SMILES for 2-[2-(2-fluorophenyl)-3-methyl-2,3-dihydropyridin-4-yl]-3-(4-methylphenyl)cyclopenta-2,4-dien-1-one is Cc1ccc(C2=C(C3=CC=NC(c4ccccc4F)C3C)C(=O)C=C2)cc1.
What is the InChIKey of 2-[2-(2-fluorophenyl)-3-methyl-2,3-dihydropyridin-4-yl]-3-(4-methylphenyl)cyclopenta-2,4-dien-1-one?
The InChIKey is LRGJCYORWGKKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO/c1-15-7-9-17(10-8-15)19-11-12-22(27)23(19)18-13-14-26-24(16(18)2)20-5-3-4-6-21(20)25/h3-14,16,24H,1-2H3.
What are the key properties of 2-[2-(2-fluorophenyl)-3-methyl-2,3-dihydropyridin-4-yl]-3-(4-methylphenyl)cyclopenta-2,4-dien-1-one?
2-[2-(2-fluorophenyl)-3-methyl-2,3-dihydropyridin-4-yl]-3-(4-methylphenyl)cyclopenta-2,4-dien-1-one has a molecular weight of 357.43 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)-3-methyl-2,3-dihydropyridin-4-yl]-3-(4-methylphenyl)cyclopenta-2,4-dien-1-one is sourced from PubChem (CID 91137516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).