(4R)-4-[5-(2,5-dichlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione

C19H15Cl2NO4 — CID 98234742

IUPAC(4R)-4-[5-(2,5-dichlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
SMILESCC1(C)OC(=O)C2=C1NC(=O)C[C@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C19H15Cl2NO4/c1-19(2)17-16(18(24)26-19)11(8-15(23)22-17)14-6-5-13(25-14)10-7-9(20)3-4-12(10)21/h3-7,11H,8H2,1-2H3,(H,22,23)/t11-/m0/s1
InChIKeyJYONDLFPMPALGY-NSHDSACASA-N
MW392.24 g/mol
LogP4.45
Rot. Bonds2

About (4R)-4-[5-(2,5-dichlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione

(4R)-4-[5-(2,5-dichlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione (PubChem CID 98234742) has the molecular formula C19H15Cl2NO4 and a molecular weight of 392.24 g/mol. Its IUPAC name is (4R)-4-[5-(2,5-dichlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name(4R)-4-[5-(2,5-dichlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
PubChem CID98234742
Molecular FormulaC19H15Cl2NO4
Molecular Weight392.24 g/mol
Exact Mass391.04
IUPAC Name(4R)-4-[5-(2,5-dichlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
SMILESCC1(C)OC(=O)C2=C1NC(=O)C[C@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C19H15Cl2NO4/c1-19(2)17-16(18(24)26-19)11(8-15(23)22-17)14-6-5-13(25-14)10-7-9(20)3-4-12(10)21/h3-7,11H,8H2,1-2H3,(H,22,23)/t11-/m0/s1
InChIKeyJYONDLFPMPALGY-NSHDSACASA-N
XLogP4.45
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-4-[5-(2,5-dichlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

4-[5-(2-chlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 56763327
(4S)-4-[5-(2-fluorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 98234220
5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 50883766
(4S)-4-(3-cyclopentyloxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 98233998
(4R)-4-[5-(2,4-dichlorophenyl)furan-2-yl]-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95390781
4-(2,3-dimethoxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 56698823
4-[5-(3-chlorophenyl)furan-2-yl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632911
(4R)-4-[5-(3-chlorophenyl)furan-2-yl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136887357
(14R)-14-[5-(3-chlorophenyl)furan-2-yl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one
CID 95147653
2-(2,5-dichlorophenyl)-5-methylfuran;ethane
CID 143821579
[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[(3S,5R)-3,5-dimethyl-1-adamantyl]azanium
CID 8622297
9-[5-(2-chlorophenyl)furan-2-yl]-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 983377

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[5-(2,5-dichlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione?
The IUPAC name of (4R)-4-[5-(2,5-dichlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione (CID 98234742) is (4R)-4-[5-(2,5-dichlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione.
What is the SMILES notation for (4R)-4-[5-(2,5-dichlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione?
The canonical SMILES for (4R)-4-[5-(2,5-dichlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione is CC1(C)OC(=O)C2=C1NC(=O)C[C@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1.
What is the InChIKey of (4R)-4-[5-(2,5-dichlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione?
The InChIKey is JYONDLFPMPALGY-NSHDSACASA-N. The full InChI is InChI=1S/C19H15Cl2NO4/c1-19(2)17-16(18(24)26-19)11(8-15(23)22-17)14-6-5-13(25-14)10-7-9(20)3-4-12(10)21/h3-7,11H,8H2,1-2H3,(H,22,23)/t11-/m0/s1.
What are the key properties of (4R)-4-[5-(2,5-dichlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione?
(4R)-4-[5-(2,5-dichlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione has a molecular weight of 392.24 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[5-(2,5-dichlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 98234742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).