3-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one

C20H16FNO3 — CID 43842667

IUPAC3-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ccccc2)C1c1ccc(F)cc1)C1CC1
InChIInChI=1S/C20H16FNO3/c21-14-10-8-12(9-11-14)17-16(18(23)13-6-7-13)19(24)20(25)22(17)15-4-2-1-3-5-15/h1-5,8-11,13,17,24H,6-7H2
InChIKeyQGPWFSPUAQBAMF-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.70
Rot. Bonds4

About 3-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one

3-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one (PubChem CID 43842667) has the molecular formula C20H16FNO3 and a molecular weight of 337.35 g/mol. Its IUPAC name is 3-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one
PubChem CID43842667
Molecular FormulaC20H16FNO3
Molecular Weight337.35 g/mol
Exact Mass337.11
IUPAC Name3-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ccccc2)C1c1ccc(F)cc1)C1CC1
InChIInChI=1S/C20H16FNO3/c21-14-10-8-12(9-11-14)17-16(18(23)13-6-7-13)19(24)20(25)22(17)15-4-2-1-3-5-15/h1-5,8-11,13,17,24H,6-7H2
InChIKeyQGPWFSPUAQBAMF-UHFFFAOYSA-N
XLogP3.70
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-4-hydroxy-2-phenyl-3-propanoyl-2H-pyrrol-5-one
CID 108638122
(2R)-3-acetyl-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one
CID 790603
(2R)-3-acetyl-2-(4-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 1345494
2-(4-fluorophenyl)-4-hydroxy-1-(4-methylphenyl)-3-(3-phenylprop-2-enoyl)-2H-pyrrol-5-one
CID 3576851
methyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
CID 54736162
1,2-bis(4-fluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108642175
(2R)-3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 95052352
3-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(2-methylphenyl)-5-oxo-2H-pyrrol-1-yl]benzoic acid
CID 51519975
2-[4-[(2S)-3-acetyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]phenoxy]acetic acid
CID 1259436
1-(4-fluorophenyl)-4-hydroxy-2-(4-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108616422
4-[(2S)-3-acetyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzenesulfonamide
CID 7478423
2-(4-fluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108679422

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one?
The IUPAC name of 3-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one (CID 43842667) is 3-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 3-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2ccccc2)C1c1ccc(F)cc1)C1CC1.
What is the InChIKey of 3-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one?
The InChIKey is QGPWFSPUAQBAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO3/c21-14-10-8-12(9-11-14)17-16(18(23)13-6-7-13)19(24)20(25)22(17)15-4-2-1-3-5-15/h1-5,8-11,13,17,24H,6-7H2.
What are the key properties of 3-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one?
3-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one has a molecular weight of 337.35 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 43842667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).