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

C24H15ClFNO3 — CID 4316394

IUPAC2-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2ccccc2F)N1Cc1ccccc1Cl
InChIInChI=1S/C24H15ClFNO3/c25-17-10-4-1-7-14(17)13-27-21(15-8-2-5-11-18(15)26)20-22(28)16-9-3-6-12-19(16)30-23(20)24(27)29/h1-12,21H,13H2
InChIKeyGGSDUCKPGHLKAI-UHFFFAOYSA-N
MW419.84 g/mol
LogP5.33
Rot. Bonds3

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

2-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4316394) has the molecular formula C24H15ClFNO3 and a molecular weight of 419.84 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4316394
Molecular FormulaC24H15ClFNO3
Molecular Weight419.84 g/mol
Exact Mass419.07
IUPAC Name2-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2ccccc2F)N1Cc1ccccc1Cl
InChIInChI=1S/C24H15ClFNO3/c25-17-10-4-1-7-14(17)13-27-21(15-8-2-5-11-18(15)26)20-22(28)16-9-3-6-12-19(16)30-23(20)24(27)29/h1-12,21H,13H2
InChIKeyGGSDUCKPGHLKAI-UHFFFAOYSA-N
XLogP5.33
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.84
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4316394) is 2-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccccc3c(=O)c2C(c2ccccc2F)N1Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is GGSDUCKPGHLKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClFNO3/c25-17-10-4-1-7-14(17)13-27-21(15-8-2-5-11-18(15)26)20-22(28)16-9-3-6-12-19(16)30-23(20)24(27)29/h1-12,21H,13H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 419.84 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4316394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).