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

C24H14BrCl2NO3 — CID 18810608

IUPAC7-bromo-1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Br)cc3c(=O)c2C(c2cccc(Cl)c2)N1Cc1ccccc1Cl
InChIInChI=1S/C24H14BrCl2NO3/c25-15-8-9-19-17(11-15)22(29)20-21(13-5-3-6-16(26)10-13)28(24(30)23(20)31-19)12-14-4-1-2-7-18(14)27/h1-11,21H,12H2
InChIKeyPIUMOFZMCOCAMU-UHFFFAOYSA-N
MW515.19 g/mol
LogP6.61
Rot. Bonds3

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

7-bromo-1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18810608) has the molecular formula C24H14BrCl2NO3 and a molecular weight of 515.19 g/mol. Its IUPAC name is 7-bromo-1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18810608
Molecular FormulaC24H14BrCl2NO3
Molecular Weight515.19 g/mol
Exact Mass512.95
IUPAC Name7-bromo-1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Br)cc3c(=O)c2C(c2cccc(Cl)c2)N1Cc1ccccc1Cl
InChIInChI=1S/C24H14BrCl2NO3/c25-15-8-9-19-17(11-15)22(29)20-21(13-5-3-6-16(26)10-13)28(24(30)23(20)31-19)12-14-4-1-2-7-18(14)27/h1-11,21H,12H2
InChIKeyPIUMOFZMCOCAMU-UHFFFAOYSA-N
XLogP6.61
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.19
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-2-[(2-chlorophenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810614
7-bromo-1-(4-tert-butylphenyl)-2-[(2-chlorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810518
7-bromo-2-[(2-chlorophenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810537
1-(3-bromophenyl)-7-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882594
7-bromo-1-(3-chlorophenyl)-2-[2-(dimethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705667
7-bromo-2-[(2-chlorophenyl)methyl]-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810590
7-bromo-1,2-bis(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854898
1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108823
2-[(2-chlorophenyl)methyl]-7-methyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809795
2-[(2-chlorophenyl)methyl]-1-(3-ethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809877
7-bromo-1-(3-bromophenyl)-2-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854377
(1R)-2-[(2-chlorophenyl)methyl]-7-fluoro-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41137997

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18810608) is 7-bromo-1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(Br)cc3c(=O)c2C(c2cccc(Cl)c2)N1Cc1ccccc1Cl.
What is the InChIKey of 7-bromo-1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is PIUMOFZMCOCAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14BrCl2NO3/c25-15-8-9-19-17(11-15)22(29)20-21(13-5-3-6-16(26)10-13)28(24(30)23(20)31-19)12-14-4-1-2-7-18(14)27/h1-11,21H,12H2.
What are the key properties of 7-bromo-1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 515.19 g/mol, XLogP of 6.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18810608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).