3-(1-benzofuran-2-carbonyl)-2-(3-bromophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one

C25H23BrN2O5 — CID 3802907

IUPAC3-(1-benzofuran-2-carbonyl)-2-(3-bromophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1c1cccc(Br)c1)c1cc2ccccc2o1
InChIInChI=1S/C25H23BrN2O5/c26-18-6-3-5-17(14-18)22-21(23(29)20-15-16-4-1-2-7-19(16)33-20)24(30)25(31)28(22)9-8-27-10-12-32-13-11-27/h1-7,14-15,22,30H,8-13H2
InChIKeyGHYOIHWSEMCEGP-UHFFFAOYSA-N
MW511.37 g/mol
LogP4.11
Rot. Bonds6

About 3-(1-benzofuran-2-carbonyl)-2-(3-bromophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one

3-(1-benzofuran-2-carbonyl)-2-(3-bromophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (PubChem CID 3802907) has the molecular formula C25H23BrN2O5 and a molecular weight of 511.37 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-2-(3-bromophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-carbonyl)-2-(3-bromophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
PubChem CID3802907
Molecular FormulaC25H23BrN2O5
Molecular Weight511.37 g/mol
Exact Mass510.08
IUPAC Name3-(1-benzofuran-2-carbonyl)-2-(3-bromophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1c1cccc(Br)c1)c1cc2ccccc2o1
InChIInChI=1S/C25H23BrN2O5/c26-18-6-3-5-17(14-18)22-21(23(29)20-15-16-4-1-2-7-19(16)33-20)24(30)25(31)28(22)9-8-27-10-12-32-13-11-27/h1-7,14-15,22,30H,8-13H2
InChIKeyGHYOIHWSEMCEGP-UHFFFAOYSA-N
XLogP4.11
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-BR-PH)-4-(2-Furoyl)-3-HO-1-(3-methoxypropyl)-1,5-dihydro-2H-pyrrol-2-one
CID 661728
4-hydroxy-2-(3-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 2918603
methyl 4-[3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-[2-(morpholin-4-yl)ethyl]-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
CID 3773258
(6S)-4-(1-benzofuran-2-carbonyl)-1-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)piperazin-2-one
CID 122600744
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 662154
5-(3-bromophenyl)-1-(furan-2-ylmethyl)-3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
CID 2934100
2-(4-tert-butylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 3317909
3-Hydroxy-4-[(5-methyl(2-furyl))carbonyl]-1-(2-morpholin-4-ylethyl)-5-(3-propo xyphenyl)-3-pyrrolin-2-one
CID 3724835
4-(1-benzofuran-2-carbonyl)-5-(3-fluorophenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one
CID 4342649
5-bromo-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 4966753
5-bromo-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide
CID 8852038
1-Benzofuran-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 9120469

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-2-(3-bromophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(1-benzofuran-2-carbonyl)-2-(3-bromophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (CID 3802907) is 3-(1-benzofuran-2-carbonyl)-2-(3-bromophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-2-(3-bromophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-2-(3-bromophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1c1cccc(Br)c1)c1cc2ccccc2o1.
What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-2-(3-bromophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The InChIKey is GHYOIHWSEMCEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrN2O5/c26-18-6-3-5-17(14-18)22-21(23(29)20-15-16-4-1-2-7-19(16)33-20)24(30)25(31)28(22)9-8-27-10-12-32-13-11-27/h1-7,14-15,22,30H,8-13H2.
What are the key properties of 3-(1-benzofuran-2-carbonyl)-2-(3-bromophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
3-(1-benzofuran-2-carbonyl)-2-(3-bromophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one has a molecular weight of 511.37 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-carbonyl)-2-(3-bromophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3802907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).