3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one

C24H21ClN2O4 — CID 108634619

IUPAC3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(C2CCCCC2)C1c1ccncc1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C24H21ClN2O4/c25-16-6-7-18-15(12-16)13-19(31-18)22(28)20-21(14-8-10-26-11-9-14)27(24(30)23(20)29)17-4-2-1-3-5-17/h6-13,17,21,29H,1-5H2
InChIKeyAXZTYKQZPKMEMF-UHFFFAOYSA-N
MW436.90 g/mol
LogP5.39
Rot. Bonds4

About 3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one

3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one (PubChem CID 108634619) has the molecular formula C24H21ClN2O4 and a molecular weight of 436.90 g/mol. Its IUPAC name is 3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one
PubChem CID108634619
Molecular FormulaC24H21ClN2O4
Molecular Weight436.90 g/mol
Exact Mass436.12
IUPAC Name3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(C2CCCCC2)C1c1ccncc1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C24H21ClN2O4/c25-16-6-7-18-15(12-16)13-19(31-18)22(28)20-21(14-8-10-26-11-9-14)27(24(30)23(20)29)17-4-2-1-3-5-17/h6-13,17,21,29H,1-5H2
InChIKeyAXZTYKQZPKMEMF-UHFFFAOYSA-N
XLogP5.39
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.90
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-2H-pyrrol-5-one
CID 108641778
3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108620483
3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108660259
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108632306
3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108643046
3-(5-chloro-1-benzofuran-2-carbonyl)-2-(4-fluorophenyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108643001
3-(5-chloro-1-benzofuran-2-carbonyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108594352
3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108649440
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
CID 108673785
3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-[4-(dimethylamino)phenyl]-4-hydroxy-2H-pyrrol-5-one
CID 108581630
(5-chloro-1-benzofuran-2-yl)-(2-pyridin-4-ylazepan-1-yl)methanone
CID 55764469
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108648065

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one?
The IUPAC name of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one (CID 108634619) is 3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(C2CCCCC2)C1c1ccncc1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one?
The InChIKey is AXZTYKQZPKMEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O4/c25-16-6-7-18-15(12-16)13-19(31-18)22(28)20-21(14-8-10-26-11-9-14)27(24(30)23(20)29)17-4-2-1-3-5-17/h6-13,17,21,29H,1-5H2.
What are the key properties of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one?
3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one has a molecular weight of 436.90 g/mol, XLogP of 5.39, 4 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-cyclohexyl-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108634619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).