3-(5-chloro-1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one

C25H25ClN2O4 — CID 108651974

IUPAC3-(5-chloro-1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one
SMILESCc1ccccc1C1C(C(=O)c2cc3cc(Cl)ccc3o2)=C(O)C(=O)N1CCCN(C)C
InChIInChI=1S/C25H25ClN2O4/c1-15-7-4-5-8-18(15)22-21(24(30)25(31)28(22)12-6-11-27(2)3)23(29)20-14-16-13-17(26)9-10-19(16)32-20/h4-5,7-10,13-14,22,30H,6,11-12H2,1-3H3
InChIKeyUFEHSGVQTPIGNL-UHFFFAOYSA-N
MW452.94 g/mol
LogP4.92
Rot. Bonds7

About 3-(5-chloro-1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one

3-(5-chloro-1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one (PubChem CID 108651974) has the molecular formula C25H25ClN2O4 and a molecular weight of 452.94 g/mol. Its IUPAC name is 3-(5-chloro-1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(5-chloro-1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one
PubChem CID108651974
Molecular FormulaC25H25ClN2O4
Molecular Weight452.94 g/mol
Exact Mass452.15
IUPAC Name3-(5-chloro-1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one
SMILESCc1ccccc1C1C(C(=O)c2cc3cc(Cl)ccc3o2)=C(O)C(=O)N1CCCN(C)C
InChIInChI=1S/C25H25ClN2O4/c1-15-7-4-5-8-18(15)22-21(24(30)25(31)28(22)12-6-11-27(2)3)23(29)20-14-16-13-17(26)9-10-19(16)32-20/h4-5,7-10,13-14,22,30H,6,11-12H2,1-3H3
InChIKeyUFEHSGVQTPIGNL-UHFFFAOYSA-N
XLogP4.92
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.94
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chloro-1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
CID 108662884
1-butyl-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 108614846
3-(5-chloro-1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-2H-pyrrol-5-one
CID 108605975
3-(5-chloro-1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one
CID 108646456
3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 661074
3-(5-chloro-1-benzofuran-2-carbonyl)-2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 108580535
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-2-(2-methylphenyl)-2H-pyrrol-5-one
CID 108651845
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-phenyl-1-propyl-2H-pyrrol-5-one
CID 108640583
3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
CID 3487292
3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 3487299
3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-iodophenyl)-2H-pyrrol-5-one
CID 3492920
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-1-pentyl-2H-pyrrol-5-one
CID 108663230

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one (CID 108651974) is 3-(5-chloro-1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(5-chloro-1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(5-chloro-1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one is Cc1ccccc1C1C(C(=O)c2cc3cc(Cl)ccc3o2)=C(O)C(=O)N1CCCN(C)C.
What is the InChIKey of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one?
The InChIKey is UFEHSGVQTPIGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O4/c1-15-7-4-5-8-18(15)22-21(24(30)25(31)28(22)12-6-11-27(2)3)23(29)20-14-16-13-17(26)9-10-19(16)32-20/h4-5,7-10,13-14,22,30H,6,11-12H2,1-3H3.
What are the key properties of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one?
3-(5-chloro-1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 452.94 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108651974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).