7-bromo-2-(3-chlorophenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C32H23BrClNO5 — CID 18855114

IUPAC7-bromo-2-(3-chlorophenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1cc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2cccc(Cl)c2)ccc1OCc1ccccc1
InChIInChI=1S/C32H23BrClNO5/c1-2-38-27-15-20(11-13-26(27)39-18-19-7-4-3-5-8-19)29-28-30(36)24-16-21(33)12-14-25(24)40-31(28)32(37)35(29)23-10-6-9-22(34)17-23/h3-17,29H,2,18H2,1H3
InChIKeyIZSXKDSUPUSQTP-UHFFFAOYSA-N
MW616.90 g/mol
LogP7.94
Rot. Bonds7

About 7-bromo-2-(3-chlorophenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-bromo-2-(3-chlorophenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18855114) has the molecular formula C32H23BrClNO5 and a molecular weight of 616.90 g/mol. Its IUPAC name is 7-bromo-2-(3-chlorophenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-2-(3-chlorophenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18855114
Molecular FormulaC32H23BrClNO5
Molecular Weight616.90 g/mol
Exact Mass615.04
IUPAC Name7-bromo-2-(3-chlorophenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1cc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2cccc(Cl)c2)ccc1OCc1ccccc1
InChIInChI=1S/C32H23BrClNO5/c1-2-38-27-15-20(11-13-26(27)39-18-19-7-4-3-5-8-19)29-28-30(36)24-16-21(33)12-14-25(24)40-31(28)32(37)35(29)23-10-6-9-22(34)17-23/h3-17,29H,2,18H2,1H3
InChIKeyIZSXKDSUPUSQTP-UHFFFAOYSA-N
XLogP7.94
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.90
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-bromo-2-(4-bromophenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855111
7-bromo-2-(3-chlorophenyl)-1-(3-ethoxy-4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855150
7-chloro-2-(3,4-dimethylphenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853756
1-(3-ethoxy-4-phenylmethoxyphenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858127
7-bromo-2-(3-chlorophenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855006
2-(3-chlorophenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852440
2-(3-bromophenyl)-1-(4-butoxy-3-ethoxyphenyl)-7-chloro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853783
2-(3-bromophenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857802
2-(3-chlorophenyl)-1-(3,4-diethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857064
2-(3-bromophenyl)-7-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855805
2-(3-chlorophenyl)-1-(3-ethoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852726
7-bromo-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810672

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(3-chlorophenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-2-(3-chlorophenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18855114) is 7-bromo-2-(3-chlorophenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-2-(3-chlorophenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-2-(3-chlorophenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1cc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2cccc(Cl)c2)ccc1OCc1ccccc1.
What is the InChIKey of 7-bromo-2-(3-chlorophenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is IZSXKDSUPUSQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23BrClNO5/c1-2-38-27-15-20(11-13-26(27)39-18-19-7-4-3-5-8-19)29-28-30(36)24-16-21(33)12-14-25(24)40-31(28)32(37)35(29)23-10-6-9-22(34)17-23/h3-17,29H,2,18H2,1H3.
What are the key properties of 7-bromo-2-(3-chlorophenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-2-(3-chlorophenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 616.90 g/mol, XLogP of 7.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(3-chlorophenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18855114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).