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

C23H12Cl2FNO3 — CID 18853062

IUPAC7-chloro-2-(3-chlorophenyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2ccc(F)cc2)N1c1cccc(Cl)c1
InChIInChI=1S/C23H12Cl2FNO3/c24-13-2-1-3-16(10-13)27-20(12-4-7-15(26)8-5-12)19-21(28)17-11-14(25)6-9-18(17)30-22(19)23(27)29/h1-11,20H
InChIKeyQSJXRADRFVSFMD-UHFFFAOYSA-N
MW440.26 g/mol
LogP5.99
Rot. Bonds2

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

7-chloro-2-(3-chlorophenyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18853062) has the molecular formula C23H12Cl2FNO3 and a molecular weight of 440.26 g/mol. Its IUPAC name is 7-chloro-2-(3-chlorophenyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-2-(3-chlorophenyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18853062
Molecular FormulaC23H12Cl2FNO3
Molecular Weight440.26 g/mol
Exact Mass439.02
IUPAC Name7-chloro-2-(3-chlorophenyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2ccc(F)cc2)N1c1cccc(Cl)c1
InChIInChI=1S/C23H12Cl2FNO3/c24-13-2-1-3-16(10-13)27-20(12-4-7-15(26)8-5-12)19-21(28)17-11-14(25)6-9-18(17)30-22(19)23(27)29/h1-11,20H
InChIKeyQSJXRADRFVSFMD-UHFFFAOYSA-N
XLogP5.99
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.26
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-7-chloro-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853069
7-chloro-1-(4-fluorophenyl)-2-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853073
7-chloro-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852958
2-(3-chlorophenyl)-1-(4-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857332
2-(3-bromophenyl)-7-fluoro-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855427
2-(3-bromophenyl)-7-chloro-1-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853550
7-fluoro-1,2-bis(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855423
7-chloro-1-(3-chlorophenyl)-2-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853554
7-chloro-2-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853386
1-(4-tert-butylphenyl)-2-(3-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857546
2-(3-chlorophenyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858208
7-chloro-2-(3-chlorophenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853224

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(3-chlorophenyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-2-(3-chlorophenyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18853062) is 7-chloro-2-(3-chlorophenyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-2-(3-chlorophenyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-2-(3-chlorophenyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2ccc(F)cc2)N1c1cccc(Cl)c1.
What is the InChIKey of 7-chloro-2-(3-chlorophenyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is QSJXRADRFVSFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12Cl2FNO3/c24-13-2-1-3-16(10-13)27-20(12-4-7-15(26)8-5-12)19-21(28)17-11-14(25)6-9-18(17)30-22(19)23(27)29/h1-11,20H.
What are the key properties of 7-chloro-2-(3-chlorophenyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-2-(3-chlorophenyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 440.26 g/mol, XLogP of 5.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(3-chlorophenyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18853062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).