1-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione

C20H15ClFNO3 — CID 4920478

IUPAC1-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(c3ccc(F)cc3)C3=C2COC3=O)cc1Cl
InChIInChI=1S/C20H15ClFNO3/c1-11-2-7-14(8-16(11)21)23-17-10-26-20(25)19(17)15(9-18(23)24)12-3-5-13(22)6-4-12/h2-8,15H,9-10H2,1H3
InChIKeyRBPZYWSGFYPELJ-UHFFFAOYSA-N
MW371.80 g/mol
LogP4.12
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione

1-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (PubChem CID 4920478) has the molecular formula C20H15ClFNO3 and a molecular weight of 371.80 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
PubChem CID4920478
Molecular FormulaC20H15ClFNO3
Molecular Weight371.80 g/mol
Exact Mass371.07
IUPAC Name1-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(c3ccc(F)cc3)C3=C2COC3=O)cc1Cl
InChIInChI=1S/C20H15ClFNO3/c1-11-2-7-14(8-16(11)21)23-17-10-26-20(25)19(17)15(9-18(23)24)12-3-5-13(22)6-4-12/h2-8,15H,9-10H2,1H3
InChIKeyRBPZYWSGFYPELJ-UHFFFAOYSA-N
XLogP4.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione with MolForge

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Related Compounds

1-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 6496397
(4R)-1-(3-chloro-4-methylphenyl)-4-(4-prop-2-enoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 93036580
1-(4-fluorophenyl)-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 4973830
4-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 4920498
(4S)-1-(3-fluorophenyl)-4-(4-hydroxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7619806
(4R)-1-(3-bromophenyl)-4-(4-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7554101
4-(3-chlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 5294682
4-(4-methylsulfanylphenyl)-1-[3-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 4871299
1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 4920417
4-(2,4-dichlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 4920669
(4S)-1-(4-bromophenyl)-4-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7631940
(4R)-1-(3-fluorophenyl)-4-(4-prop-2-enoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 93036575

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (CID 4920478) is 1-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is Cc1ccc(N2C(=O)CC(c3ccc(F)cc3)C3=C2COC3=O)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The InChIKey is RBPZYWSGFYPELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFNO3/c1-11-2-7-14(8-16(11)21)23-17-10-26-20(25)19(17)15(9-18(23)24)12-3-5-13(22)6-4-12/h2-8,15H,9-10H2,1H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
1-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione has a molecular weight of 371.80 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 4920478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).