5-[(4-chlorophenyl)methyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione

C16H14ClNO3 — CID 70694387

IUPAC5-[(4-chlorophenyl)methyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione
SMILESCC1(C)OC(=O)c2c1ccn(Cc1ccc(Cl)cc1)c2=O
InChIInChI=1S/C16H14ClNO3/c1-16(2)12-7-8-18(14(19)13(12)15(20)21-16)9-10-3-5-11(17)6-4-10/h3-8H,9H2,1-2H3
InChIKeyCHHORBLXLKFDAC-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.96
Rot. Bonds2

About 5-[(4-chlorophenyl)methyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione

5-[(4-chlorophenyl)methyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione (PubChem CID 70694387) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione
PubChem CID70694387
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name5-[(4-chlorophenyl)methyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione
SMILESCC1(C)OC(=O)c2c1ccn(Cc1ccc(Cl)cc1)c2=O
InChIInChI=1S/C16H14ClNO3/c1-16(2)12-7-8-18(14(19)13(12)15(20)21-16)9-10-3-5-11(17)6-4-10/h3-8H,9H2,1-2H3
InChIKeyCHHORBLXLKFDAC-UHFFFAOYSA-N
XLogP2.96
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(2-chlorophenyl)ethyl]-1,1-dimethyl-1H,5H-furo[3,4-c]pyridine-3,4-dione
CID 70683879
1,1-Dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]furo[3,4-c]pyridine-3,4-dione
CID 70686012
1-Benzyl-5-[2-(4-chlorophenyl)ethyl]-1-methylfuro[3,4-c]pyridine-3,4-dione
CID 73347304
8-acetyl-N-(4-chlorobenzyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 16020496
5-(2,4-Dichlorobenzyl)-1,1-dimethyl-1h,5H-furo[3,4-c]pyridine-3,4-dione
CID 70683878
5-[2-(4-chlorophenyl)ethyl]-1,1-dimethyl-1H,5H-furo[3,4-c]pyridine-3,4-dione
CID 70690175
1,1-dimethyl-5-phenethyl-1H,5H-furo[3,4-c]pyridine-3,4-dione
CID 70694388
5-[2-(4-Chlorophenyl)ethyl]-1-methyl-1-(2-methylpropyl)furo[3,4-c]pyridine-3,4-dione
CID 71602431
5-Benzyl-1,1-dimethylfuro[3,4-c]pyridine-3,4(1h,5h)-dione
CID 102487597
1-(4-Chlorobenzyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 5065592
Methyl 1-(3-chlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylate
CID 1478467
Methyl 5-chloro-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate
CID 1485982

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione (CID 70694387) is 5-[(4-chlorophenyl)methyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione is CC1(C)OC(=O)c2c1ccn(Cc1ccc(Cl)cc1)c2=O.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione?
The InChIKey is CHHORBLXLKFDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-16(2)12-7-8-18(14(19)13(12)15(20)21-16)9-10-3-5-11(17)6-4-10/h3-8H,9H2,1-2H3.
What are the key properties of 5-[(4-chlorophenyl)methyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione?
5-[(4-chlorophenyl)methyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione has a molecular weight of 303.75 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 70694387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).