1-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one

C19H12ClNO4S — CID 108587817

IUPAC1-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)C1c1cccs1)c1ccco1
InChIInChI=1S/C19H12ClNO4S/c20-11-4-1-5-12(10-11)21-16(14-7-3-9-26-14)15(18(23)19(21)24)17(22)13-6-2-8-25-13/h1-10,16,23H
InChIKeyQHRALSIQQCFCNR-UHFFFAOYSA-N
MW385.83 g/mol
LogP4.78
Rot. Bonds4

About 1-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one

1-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one (PubChem CID 108587817) has the molecular formula C19H12ClNO4S and a molecular weight of 385.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
PubChem CID108587817
Molecular FormulaC19H12ClNO4S
Molecular Weight385.83 g/mol
Exact Mass385.02
IUPAC Name1-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)C1c1cccs1)c1ccco1
InChIInChI=1S/C19H12ClNO4S/c20-11-4-1-5-12(10-11)21-16(14-7-3-9-26-14)15(18(23)19(21)24)17(22)13-6-2-8-25-13/h1-10,16,23H
InChIKeyQHRALSIQQCFCNR-UHFFFAOYSA-N
XLogP4.78
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(dimethylamino)phenyl]-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108587034
1-(3-chlorophenyl)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 108602937
2-(4-chlorophenyl)-1-(3-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 108600026
1-(3,5-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
CID 108681838
1-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108678293
1-(3-chloro-4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108598387
1-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108584429
3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(3-methylphenyl)-2H-pyrrol-5-one
CID 108616568
1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
CID 2910512
3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 21008452
3-(1-benzofuran-2-carbonyl)-1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108588137
2-(2,6-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 146023819

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one?
The IUPAC name of 1-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one (CID 108587817) is 1-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)C1c1cccs1)c1ccco1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one?
The InChIKey is QHRALSIQQCFCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClNO4S/c20-11-4-1-5-12(10-11)21-16(14-7-3-9-26-14)15(18(23)19(21)24)17(22)13-6-2-8-25-13/h1-10,16,23H.
What are the key properties of 1-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one?
1-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one has a molecular weight of 385.83 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108587817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).