2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H17ClFNO3 — CID 18857871

IUPAC2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)C(c1ccccc1F)N(c1ccc(C)c(Cl)c1)C3=O
InChIInChI=1S/C25H17ClFNO3/c1-13-7-10-20-17(11-13)23(29)21-22(16-5-3-4-6-19(16)27)28(25(30)24(21)31-20)15-9-8-14(2)18(26)12-15/h3-12,22H,1-2H3
InChIKeyOLIDITLEDBAKGB-UHFFFAOYSA-N
MW433.87 g/mol
LogP5.95
Rot. Bonds2

About 2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18857871) has the molecular formula C25H17ClFNO3 and a molecular weight of 433.87 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18857871
Molecular FormulaC25H17ClFNO3
Molecular Weight433.87 g/mol
Exact Mass433.09
IUPAC Name2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)C(c1ccccc1F)N(c1ccc(C)c(Cl)c1)C3=O
InChIInChI=1S/C25H17ClFNO3/c1-13-7-10-20-17(11-13)23(29)21-22(16-5-3-4-6-19(16)27)28(25(30)24(21)31-20)15-9-8-14(2)18(26)12-15/h3-12,22H,1-2H3
InChIKeyOLIDITLEDBAKGB-UHFFFAOYSA-N
XLogP5.95
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.87
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857876
2-(3-chloro-4-methylphenyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857318
2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857336
7-bromo-1-(2-fluorophenyl)-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854871
7-chloro-1-(2-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3744181
2-(3-chloro-4-methylphenyl)-6,7-dimethyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856358
7-bromo-2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854327
1-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809854
7-bromo-1-(4-bromophenyl)-2-(3-chloro-4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854453
7-methyl-2-(4-methylphenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857310
2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856340
2-(3-chlorophenyl)-1-(4-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857332

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18857871) is 2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc2oc3c(c(=O)c2c1)C(c1ccccc1F)N(c1ccc(C)c(Cl)c1)C3=O.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is OLIDITLEDBAKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClFNO3/c1-13-7-10-20-17(11-13)23(29)21-22(16-5-3-4-6-19(16)27)28(25(30)24(21)31-20)15-9-8-14(2)18(26)12-15/h3-12,22H,1-2H3.
What are the key properties of 2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 433.87 g/mol, XLogP of 5.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18857871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).