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

C26H19Cl2NO4 — CID 3494353

IUPAC7-chloro-1-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(CCN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2cccc(Cl)c2)cc1
InChIInChI=1S/C26H19Cl2NO4/c1-32-19-8-5-15(6-9-19)11-12-29-23(16-3-2-4-17(27)13-16)22-24(30)20-14-18(28)7-10-21(20)33-25(22)26(29)31/h2-10,13-14,23H,11-12H2,1H3
InChIKeyMYJFTGOJXDEEJA-UHFFFAOYSA-N
MW480.35 g/mol
LogP5.90
Rot. Bonds5

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

7-chloro-1-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 3494353) has the molecular formula C26H19Cl2NO4 and a molecular weight of 480.35 g/mol. Its IUPAC name is 7-chloro-1-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-1-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID3494353
Molecular FormulaC26H19Cl2NO4
Molecular Weight480.35 g/mol
Exact Mass479.07
IUPAC Name7-chloro-1-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(CCN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2cccc(Cl)c2)cc1
InChIInChI=1S/C26H19Cl2NO4/c1-32-19-8-5-15(6-9-19)11-12-29-23(16-3-2-4-17(27)13-16)22-24(30)20-14-18(28)7-10-21(20)33-25(22)26(29)31/h2-10,13-14,23H,11-12H2,1H3
InChIKeyMYJFTGOJXDEEJA-UHFFFAOYSA-N
XLogP5.90
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.35
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-7-chloro-1-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2014395
7-chloro-1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3501356
(1R)-7-chloro-2-[2-(4-methoxyphenyl)ethyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1423939
(1R)-7-chloro-1-(3-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316067
7-chloro-2-[2-(4-methoxyphenyl)ethyl]-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820279
7-chloro-1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4216940
7-bromo-1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820393
1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3957445
2-[4-[7-chloro-2-[2-(4-methoxyphenyl)ethyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 18820284
(1R)-1-(3-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2009071
7-chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4046348
(1S)-7-chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2032892

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-1-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 3494353) is 7-chloro-1-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-1-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-1-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(CCN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2cccc(Cl)c2)cc1.
What is the InChIKey of 7-chloro-1-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is MYJFTGOJXDEEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2NO4/c1-32-19-8-5-15(6-9-19)11-12-29-23(16-3-2-4-17(27)13-16)22-24(30)20-14-18(28)7-10-21(20)33-25(22)26(29)31/h2-10,13-14,23H,11-12H2,1H3.
What are the key properties of 7-chloro-1-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-1-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 480.35 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 3494353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).