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

C23H13ClFNO3 — CID 18852958

IUPAC7-chloro-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2ccccc2)N1c1ccc(F)cc1
InChIInChI=1S/C23H13ClFNO3/c24-14-6-11-18-17(12-14)21(27)19-20(13-4-2-1-3-5-13)26(23(28)22(19)29-18)16-9-7-15(25)8-10-16/h1-12,20H
InChIKeyMRLWUQOQVBPMEH-UHFFFAOYSA-N
MW405.81 g/mol
LogP5.34
Rot. Bonds2

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

7-chloro-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18852958) has the molecular formula C23H13ClFNO3 and a molecular weight of 405.81 g/mol. Its IUPAC name is 7-chloro-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18852958
Molecular FormulaC23H13ClFNO3
Molecular Weight405.81 g/mol
Exact Mass405.06
IUPAC Name7-chloro-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2ccccc2)N1c1ccc(F)cc1
InChIInChI=1S/C23H13ClFNO3/c24-14-6-11-18-17(12-14)21(27)19-20(13-4-2-1-3-5-13)26(23(28)22(19)29-18)16-9-7-15(25)8-10-16/h1-12,20H
InChIKeyMRLWUQOQVBPMEH-UHFFFAOYSA-N
XLogP5.34
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.81
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-2-(3-chlorophenyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853062
7-chloro-2-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853386
7-fluoro-1,2-bis(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855423
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
1-(4-fluorophenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852061
2-(4-ethoxyphenyl)-7-fluoro-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855314
7-chloro-1-(4-ethoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853146
7-methyl-2-(4-methylphenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857310
7-chloro-1-(4-chlorophenyl)-2-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852979
2-(4-bromophenyl)-7-chloro-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853221
2-(4-acetylphenyl)-1-(3-chlorophenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855914

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18852958) is 7-chloro-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2ccccc2)N1c1ccc(F)cc1.
What is the InChIKey of 7-chloro-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is MRLWUQOQVBPMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13ClFNO3/c24-14-6-11-18-17(12-14)21(27)19-20(13-4-2-1-3-5-13)26(23(28)22(19)29-18)16-9-7-15(25)8-10-16/h1-12,20H.
What are the key properties of 7-chloro-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 405.81 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18852958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).