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

C23H12BrCl2NO3 — CID 18853550

IUPAC2-(3-bromophenyl)-7-chloro-1-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccc(Cl)c2)N1c1cccc(Br)c1
InChIInChI=1S/C23H12BrCl2NO3/c24-13-4-2-6-16(10-13)27-20(12-3-1-5-14(25)9-12)19-21(28)17-11-15(26)7-8-18(17)30-22(19)23(27)29/h1-11,20H
InChIKeyQLZKLZLUZGHBGE-UHFFFAOYSA-N
MW501.16 g/mol
LogP6.61
Rot. Bonds2

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

2-(3-bromophenyl)-7-chloro-1-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18853550) has the molecular formula C23H12BrCl2NO3 and a molecular weight of 501.16 g/mol. Its IUPAC name is 2-(3-bromophenyl)-7-chloro-1-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(3-bromophenyl)-7-chloro-1-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18853550
Molecular FormulaC23H12BrCl2NO3
Molecular Weight501.16 g/mol
Exact Mass498.94
IUPAC Name2-(3-bromophenyl)-7-chloro-1-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccc(Cl)c2)N1c1cccc(Br)c1
InChIInChI=1S/C23H12BrCl2NO3/c24-13-4-2-6-16(10-13)27-20(12-3-1-5-14(25)9-12)19-21(28)17-11-15(26)7-8-18(17)30-22(19)23(27)29/h1-11,20H
InChIKeyQLZKLZLUZGHBGE-UHFFFAOYSA-N
XLogP6.61
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.16
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-1,2-bis(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854898
7-bromo-1-(3-bromophenyl)-2-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854377
2-(3-bromophenyl)-7-chloro-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853069
7-chloro-1-(3-chlorophenyl)-2-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853554
1-(3-bromophenyl)-2-(3-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856387
2-(3-bromophenyl)-7-chloro-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853585
2-(3-bromophenyl)-7-chloro-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853301
2-(3-bromophenyl)-7-chloro-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853693
7-chloro-2-(3-chlorophenyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853062
2-(4-bromophenyl)-1-(3-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857899
2-(4-bromophenyl)-7-chloro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2967503
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 2-(3-bromophenyl)-7-chloro-1-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(3-bromophenyl)-7-chloro-1-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18853550) is 2-(3-bromophenyl)-7-chloro-1-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(3-bromophenyl)-7-chloro-1-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(3-bromophenyl)-7-chloro-1-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccc(Cl)c2)N1c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-7-chloro-1-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is QLZKLZLUZGHBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12BrCl2NO3/c24-13-4-2-6-16(10-13)27-20(12-3-1-5-14(25)9-12)19-21(28)17-11-15(26)7-8-18(17)30-22(19)23(27)29/h1-11,20H.
What are the key properties of 2-(3-bromophenyl)-7-chloro-1-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(3-bromophenyl)-7-chloro-1-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 501.16 g/mol, XLogP of 6.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-7-chloro-1-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18853550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).