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

C24H14ClF2NO3 — CID 18810351

IUPAC2-[(2-chlorophenyl)methyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(F)cc3c(=O)c2C(c2ccccc2F)N1Cc1ccccc1Cl
InChIInChI=1S/C24H14ClF2NO3/c25-17-7-3-1-5-13(17)12-28-21(15-6-2-4-8-18(15)27)20-22(29)16-11-14(26)9-10-19(16)31-23(20)24(28)30/h1-11,21H,12H2
InChIKeyXAYBDNXXQTUFGN-UHFFFAOYSA-N
MW437.83 g/mol
LogP5.47
Rot. Bonds3

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

2-[(2-chlorophenyl)methyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18810351) has the molecular formula C24H14ClF2NO3 and a molecular weight of 437.83 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18810351
Molecular FormulaC24H14ClF2NO3
Molecular Weight437.83 g/mol
Exact Mass437.06
IUPAC Name2-[(2-chlorophenyl)methyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(F)cc3c(=O)c2C(c2ccccc2F)N1Cc1ccccc1Cl
InChIInChI=1S/C24H14ClF2NO3/c25-17-7-3-1-5-13(17)12-28-21(15-6-2-4-8-18(15)27)20-22(29)16-11-14(26)9-10-19(16)31-23(20)24(28)30/h1-11,21H,12H2
InChIKeyXAYBDNXXQTUFGN-UHFFFAOYSA-N
XLogP5.47
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.83
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4316394
(1R)-2-[(2-chlorophenyl)methyl]-7-fluoro-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41137997
2-[(2-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810283
1-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809854
1-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809626
2-benzyl-7-bromo-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3565473
(1R)-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[(2-chlorophenyl)methyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2215168
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[(2-chlorophenyl)methyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2960016
2-[(2-chlorophenyl)methyl]-1-(3-ethoxy-4-pentoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810420
7-chloro-1-(2-fluorophenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882569
7-bromo-1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810608
2-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3848664

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18810351) is 2-[(2-chlorophenyl)methyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(F)cc3c(=O)c2C(c2ccccc2F)N1Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is XAYBDNXXQTUFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClF2NO3/c25-17-7-3-1-5-13(17)12-28-21(15-6-2-4-8-18(15)27)20-22(29)16-11-14(26)9-10-19(16)31-23(20)24(28)30/h1-11,21H,12H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[(2-chlorophenyl)methyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 437.83 g/mol, XLogP of 5.47, 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]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18810351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).