1-(3,4-difluorophenyl)-4-hydroxy-2-(2-methylphenyl)-3-propanoyl-2H-pyrrol-5-one

C20H17F2NO3 — CID 108606479

IUPAC1-(3,4-difluorophenyl)-4-hydroxy-2-(2-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)C1c1ccccc1C
InChIInChI=1S/C20H17F2NO3/c1-3-16(24)17-18(13-7-5-4-6-11(13)2)23(20(26)19(17)25)12-8-9-14(21)15(22)10-12/h4-10,18,25H,3H2,1-2H3
InChIKeyWRMPBFGXZRVVQV-UHFFFAOYSA-N
MW357.36 g/mol
LogP4.15
Rot. Bonds4

About 1-(3,4-difluorophenyl)-4-hydroxy-2-(2-methylphenyl)-3-propanoyl-2H-pyrrol-5-one

1-(3,4-difluorophenyl)-4-hydroxy-2-(2-methylphenyl)-3-propanoyl-2H-pyrrol-5-one (PubChem CID 108606479) has the molecular formula C20H17F2NO3 and a molecular weight of 357.36 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-4-hydroxy-2-(2-methylphenyl)-3-propanoyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-4-hydroxy-2-(2-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
PubChem CID108606479
Molecular FormulaC20H17F2NO3
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name1-(3,4-difluorophenyl)-4-hydroxy-2-(2-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)C1c1ccccc1C
InChIInChI=1S/C20H17F2NO3/c1-3-16(24)17-18(13-7-5-4-6-11(13)2)23(20(26)19(17)25)12-8-9-14(21)15(22)10-12/h4-10,18,25H,3H2,1-2H3
InChIKeyWRMPBFGXZRVVQV-UHFFFAOYSA-N
XLogP4.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108602761
1-(3,5-dichlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108680623
1-(3,4-difluorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one
CID 108606504
1-(3-chloro-4-methylphenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108667941
1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-naphthalen-1-yl-2H-pyrrol-5-one
CID 108677245
4-hydroxy-2-(2-methylphenyl)-3-propanoyl-1-propyl-2H-pyrrol-5-one
CID 108652217
1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108601139
1-(4-fluorophenyl)-4-hydroxy-2-phenyl-3-propanoyl-2H-pyrrol-5-one
CID 108638122
1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one
CID 108638037
3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 3762892
1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(2-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108652043
2-(2-fluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 108645008

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-4-hydroxy-2-(2-methylphenyl)-3-propanoyl-2H-pyrrol-5-one?
The IUPAC name of 1-(3,4-difluorophenyl)-4-hydroxy-2-(2-methylphenyl)-3-propanoyl-2H-pyrrol-5-one (CID 108606479) is 1-(3,4-difluorophenyl)-4-hydroxy-2-(2-methylphenyl)-3-propanoyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-4-hydroxy-2-(2-methylphenyl)-3-propanoyl-2H-pyrrol-5-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-4-hydroxy-2-(2-methylphenyl)-3-propanoyl-2H-pyrrol-5-one is CCC(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)C1c1ccccc1C.
What is the InChIKey of 1-(3,4-difluorophenyl)-4-hydroxy-2-(2-methylphenyl)-3-propanoyl-2H-pyrrol-5-one?
The InChIKey is WRMPBFGXZRVVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO3/c1-3-16(24)17-18(13-7-5-4-6-11(13)2)23(20(26)19(17)25)12-8-9-14(21)15(22)10-12/h4-10,18,25H,3H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-4-hydroxy-2-(2-methylphenyl)-3-propanoyl-2H-pyrrol-5-one?
1-(3,4-difluorophenyl)-4-hydroxy-2-(2-methylphenyl)-3-propanoyl-2H-pyrrol-5-one has a molecular weight of 357.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-4-hydroxy-2-(2-methylphenyl)-3-propanoyl-2H-pyrrol-5-one is sourced from PubChem (CID 108606479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).