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

C24H14BrCl2NO3 — CID 18854327

IUPAC7-bromo-2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C24H14BrCl2NO3/c1-12-2-8-16(11-18(12)27)28-21(13-3-6-15(26)7-4-13)20-22(29)17-10-14(25)5-9-19(17)31-23(20)24(28)30/h2-11,21H,1H3
InChIKeyHQRRVDXRSLPNOM-UHFFFAOYSA-N
MW515.19 g/mol
LogP6.92
Rot. Bonds2

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

7-bromo-2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18854327) has the molecular formula C24H14BrCl2NO3 and a molecular weight of 515.19 g/mol. Its IUPAC name is 7-bromo-2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18854327
Molecular FormulaC24H14BrCl2NO3
Molecular Weight515.19 g/mol
Exact Mass512.95
IUPAC Name7-bromo-2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C24H14BrCl2NO3/c1-12-2-8-16(11-18(12)27)28-21(13-3-6-15(26)7-4-13)20-22(29)17-10-14(25)5-9-19(17)31-23(20)24(28)30/h2-11,21H,1H3
InChIKeyHQRRVDXRSLPNOM-UHFFFAOYSA-N
XLogP6.92
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.19
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-1-(4-bromophenyl)-2-(3-chloro-4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854453
2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857336
2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856340
7-bromo-1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854447
7-bromo-2-(3,4-dimethylphenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854465
2-(3-chloro-4-methylphenyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857318
2-(3-chloro-4-methylphenyl)-6,7-dimethyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856358
7-bromo-2-(3-chloro-4-methoxyphenyl)-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854436
7-bromo-2-(3-chloro-4-methylphenyl)-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855172
7-bromo-2-(4-bromophenyl)-1-(4-tert-butylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854536
7-bromo-1,2-bis(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854898
2-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856341

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18854327) is 7-bromo-2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 7-bromo-2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is HQRRVDXRSLPNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14BrCl2NO3/c1-12-2-8-16(11-18(12)27)28-21(13-3-6-15(26)7-4-13)20-22(29)17-10-14(25)5-9-19(17)31-23(20)24(28)30/h2-11,21H,1H3.
What are the key properties of 7-bromo-2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 515.19 g/mol, XLogP of 6.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18854327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).