1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one

C29H25FN2O3 — CID 108695685

IUPAC1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
SMILESO=C(CCc1ccccc1)C1=C(O)C(=O)N(CCc2ccc(F)cc2)C1c1c[nH]c2ccccc12
InChIInChI=1S/C29H25FN2O3/c30-21-13-10-20(11-14-21)16-17-32-27(23-18-31-24-9-5-4-8-22(23)24)26(28(34)29(32)35)25(33)15-12-19-6-2-1-3-7-19/h1-11,13-14,18,27,31,34H,12,15-17H2
InChIKeyFQCUDZSIEJIIKN-UHFFFAOYSA-N
MW468.53 g/mol
LogP5.45
Rot. Bonds8

About 1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one

1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one (PubChem CID 108695685) has the molecular formula C29H25FN2O3 and a molecular weight of 468.53 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
PubChem CID108695685
Molecular FormulaC29H25FN2O3
Molecular Weight468.53 g/mol
Exact Mass468.18
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
SMILESO=C(CCc1ccccc1)C1=C(O)C(=O)N(CCc2ccc(F)cc2)C1c1c[nH]c2ccccc12
InChIInChI=1S/C29H25FN2O3/c30-21-13-10-20(11-14-21)16-17-32-27(23-18-31-24-9-5-4-8-22(23)24)26(28(34)29(32)35)25(33)15-12-19-6-2-1-3-7-19/h1-11,13-14,18,27,31,34H,12,15-17H2
InChIKeyFQCUDZSIEJIIKN-UHFFFAOYSA-N
XLogP5.45
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.53
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-1-benzofuran-2-carbonyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one
CID 108695686
1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
CID 108695687
1-butyl-4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108646525
1-[(4-fluorophenyl)methyl]-4-hydroxy-2-(4-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108583313
1-[3-(dimethylamino)propyl]-4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108604565
1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108646441
2-(4-fluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 43859993
4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108603437
1-[3-(dimethylamino)propyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108604568
1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one
CID 108599499
1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108605974
4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108604390

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one (CID 108695685) is 1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one is O=C(CCc1ccccc1)C1=C(O)C(=O)N(CCc2ccc(F)cc2)C1c1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
The InChIKey is FQCUDZSIEJIIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN2O3/c30-21-13-10-20(11-14-21)16-17-32-27(23-18-31-24-9-5-4-8-22(23)24)26(28(34)29(32)35)25(33)15-12-19-6-2-1-3-7-19/h1-11,13-14,18,27,31,34H,12,15-17H2.
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one has a molecular weight of 468.53 g/mol, XLogP of 5.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108695685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).