2-[4-(diethylamino)phenyl]-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one

C24H27FN2O3 — CID 108711310

IUPAC2-[4-(diethylamino)phenyl]-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)C1c1ccc(N(CC)CC)cc1
InChIInChI=1S/C24H27FN2O3/c1-4-20(28)21-22(17-9-13-19(14-10-17)26(5-2)6-3)27(24(30)23(21)29)15-16-7-11-18(25)12-8-16/h7-14,22,29H,4-6,15H2,1-3H3
InChIKeyXUEXEBKTLHYASO-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.55
Rot. Bonds8

About 2-[4-(diethylamino)phenyl]-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one

2-[4-(diethylamino)phenyl]-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one (PubChem CID 108711310) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is 2-[4-(diethylamino)phenyl]-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-[4-(diethylamino)phenyl]-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
PubChem CID108711310
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name2-[4-(diethylamino)phenyl]-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)C1c1ccc(N(CC)CC)cc1
InChIInChI=1S/C24H27FN2O3/c1-4-20(28)21-22(17-9-13-19(14-10-17)26(5-2)6-3)27(24(30)23(21)29)15-16-7-11-18(25)12-8-16/h7-14,22,29H,4-6,15H2,1-3H3
InChIKeyXUEXEBKTLHYASO-UHFFFAOYSA-N
XLogP4.55
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(diethylamino)phenyl]-1-(2,5-difluorophenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108711223
1-[(4-fluorophenyl)methyl]-4-hydroxy-2-(3-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108585034
2-(4-fluorophenyl)-4-hydroxy-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 108642910
2-[4-(dimethylamino)phenyl]-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108707108
2-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108603260
1-[(4-fluorophenyl)methyl]-4-hydroxy-2-(4-hydroxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108583299
1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108657145
1-[(4-fluorophenyl)methyl]-4-hydroxy-2-naphthalen-1-yl-3-propanoyl-2H-pyrrol-5-one
CID 108694393
4-hydroxy-2-(4-hydroxyphenyl)-3-propanoyl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108617309
1-(3-chlorophenyl)-2-[4-(diethylamino)phenyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108710788
2-(4-tert-butylphenyl)-3-(2,2-dimethylpropanoyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one
CID 108691650
1-[(4-fluorophenyl)methyl]-4-hydroxy-2-(4-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108583313

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)phenyl]-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one?
The IUPAC name of 2-[4-(diethylamino)phenyl]-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one (CID 108711310) is 2-[4-(diethylamino)phenyl]-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-[4-(diethylamino)phenyl]-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one?
The canonical SMILES for 2-[4-(diethylamino)phenyl]-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one is CCC(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)C1c1ccc(N(CC)CC)cc1.
What is the InChIKey of 2-[4-(diethylamino)phenyl]-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one?
The InChIKey is XUEXEBKTLHYASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O3/c1-4-20(28)21-22(17-9-13-19(14-10-17)26(5-2)6-3)27(24(30)23(21)29)15-16-7-11-18(25)12-8-16/h7-14,22,29H,4-6,15H2,1-3H3.
What are the key properties of 2-[4-(diethylamino)phenyl]-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one?
2-[4-(diethylamino)phenyl]-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one has a molecular weight of 410.49 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)phenyl]-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one is sourced from PubChem (CID 108711310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).