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

C23H13BrClNO4 — CID 2967503

IUPAC2-(4-bromophenyl)-7-chloro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccc(O)c2)N1c1ccc(Br)cc1
InChIInChI=1S/C23H13BrClNO4/c24-13-4-7-15(8-5-13)26-20(12-2-1-3-16(27)10-12)19-21(28)17-11-14(25)6-9-18(17)30-22(19)23(26)29/h1-11,20,27H
InChIKeyNIJXPYZNSPKWEI-UHFFFAOYSA-N
MW482.72 g/mol
LogP5.66
Rot. Bonds2

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

2-(4-bromophenyl)-7-chloro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2967503) has the molecular formula C23H13BrClNO4 and a molecular weight of 482.72 g/mol. Its IUPAC name is 2-(4-bromophenyl)-7-chloro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(4-bromophenyl)-7-chloro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2967503
Molecular FormulaC23H13BrClNO4
Molecular Weight482.72 g/mol
Exact Mass480.97
IUPAC Name2-(4-bromophenyl)-7-chloro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccc(O)c2)N1c1ccc(Br)cc1
InChIInChI=1S/C23H13BrClNO4/c24-13-4-7-15(8-5-13)26-20(12-2-1-3-16(27)10-12)19-21(28)17-11-14(25)6-9-18(17)30-22(19)23(26)29/h1-11,20,27H
InChIKeyNIJXPYZNSPKWEI-UHFFFAOYSA-N
XLogP5.66
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.72
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-7-chloro-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853221
2-(4-bromophenyl)-1-(3-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857899
7-bromo-2-(4-ethylphenyl)-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854922
2-(4-bromophenyl)-1-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852544
2-(3-bromophenyl)-7-chloro-1-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853550
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
(1R)-7-chloro-1-(3-hydroxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1400214
2-(4-bromophenyl)-7-chloro-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853487
2-(4-bromophenyl)-7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853257
2-(4-bromophenyl)-7-chloro-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853291
7-chloro-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852958

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-7-chloro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(4-bromophenyl)-7-chloro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2967503) is 2-(4-bromophenyl)-7-chloro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(4-bromophenyl)-7-chloro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(4-bromophenyl)-7-chloro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccc(O)c2)N1c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-7-chloro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is NIJXPYZNSPKWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13BrClNO4/c24-13-4-7-15(8-5-13)26-20(12-2-1-3-16(27)10-12)19-21(28)17-11-14(25)6-9-18(17)30-22(19)23(26)29/h1-11,20,27H.
What are the key properties of 2-(4-bromophenyl)-7-chloro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(4-bromophenyl)-7-chloro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 482.72 g/mol, XLogP of 5.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-7-chloro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2967503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).