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

C25H18FNO3 — CID 18857876

IUPAC1-(2-fluorophenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cccc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccccc2F)c1
InChIInChI=1S/C25H18FNO3/c1-14-6-5-7-16(12-14)27-22(17-8-3-4-9-19(17)26)21-23(28)18-13-15(2)10-11-20(18)30-24(21)25(27)29/h3-13,22H,1-2H3
InChIKeyNQODURCKBYLLJS-UHFFFAOYSA-N
MW399.42 g/mol
LogP5.30
Rot. Bonds2

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

1-(2-fluorophenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18857876) has the molecular formula C25H18FNO3 and a molecular weight of 399.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(2-fluorophenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18857876
Molecular FormulaC25H18FNO3
Molecular Weight399.42 g/mol
Exact Mass399.13
IUPAC Name1-(2-fluorophenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cccc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccccc2F)c1
InChIInChI=1S/C25H18FNO3/c1-14-6-5-7-16(12-14)27-22(17-8-3-4-9-19(17)26)21-23(28)18-13-15(2)10-11-20(18)30-24(21)25(27)29/h3-13,22H,1-2H3
InChIKeyNQODURCKBYLLJS-UHFFFAOYSA-N
XLogP5.30
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.42
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-1-(2-fluorophenyl)-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854871
2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857871
1-(2-fluorophenyl)-2-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852522
1-(4-ethylphenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857644
7-methyl-1-(4-methylphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857344
2-(3-chlorophenyl)-1-(4-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857332
(1S)-1-(2-fluorophenyl)-7-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42387554
2-(3-bromophenyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857321
1-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809854
7-chloro-1-(2-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3744181
1-(4-ethylphenyl)-7-fluoro-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855645
1-(4-fluorophenyl)-2-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857431

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(2-fluorophenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18857876) is 1-(2-fluorophenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(2-fluorophenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(2-fluorophenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cccc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccccc2F)c1.
What is the InChIKey of 1-(2-fluorophenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is NQODURCKBYLLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FNO3/c1-14-6-5-7-16(12-14)27-22(17-8-3-4-9-19(17)26)21-23(28)18-13-15(2)10-11-20(18)30-24(21)25(27)29/h3-13,22H,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(2-fluorophenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 399.42 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18857876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).