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

C24H15BrClNO3 — CID 18857899

IUPAC2-(4-bromophenyl)-1-(3-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)C(c1cccc(Cl)c1)N(c1ccc(Br)cc1)C3=O
InChIInChI=1S/C24H15BrClNO3/c1-13-5-10-19-18(11-13)22(28)20-21(14-3-2-4-16(26)12-14)27(24(29)23(20)30-19)17-8-6-15(25)7-9-17/h2-12,21H,1H3
InChIKeyOWSWDAALVHWIPZ-UHFFFAOYSA-N
MW480.75 g/mol
LogP6.27
Rot. Bonds2

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

2-(4-bromophenyl)-1-(3-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18857899) has the molecular formula C24H15BrClNO3 and a molecular weight of 480.75 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(3-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(3-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18857899
Molecular FormulaC24H15BrClNO3
Molecular Weight480.75 g/mol
Exact Mass478.99
IUPAC Name2-(4-bromophenyl)-1-(3-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)C(c1cccc(Cl)c1)N(c1ccc(Br)cc1)C3=O
InChIInChI=1S/C24H15BrClNO3/c1-13-5-10-19-18(11-13)22(28)20-21(14-3-2-4-16(26)12-14)27(24(29)23(20)30-19)17-8-6-15(25)7-9-17/h2-12,21H,1H3
InChIKeyOWSWDAALVHWIPZ-UHFFFAOYSA-N
XLogP6.27
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.75
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-1-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852544
7-bromo-1,2-bis(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854898
2-(4-bromophenyl)-7-chloro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2967503
7-bromo-1-(3-bromophenyl)-2-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854377
2-(3-chlorophenyl)-1-(4-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857332
2-(3-bromophenyl)-7-chloro-1-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853550
7-methyl-2-(4-methylphenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857310
2-(4-bromophenyl)-1-(4-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857846
1-(4-bromophenyl)-2-(4-ethylphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857462
2-(4-bromophenyl)-7-chloro-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853221
2-(3-bromophenyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857321
(1S)-1-(3-chlorophenyl)-7-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143651

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(3-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(4-bromophenyl)-1-(3-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18857899) is 2-(4-bromophenyl)-1-(3-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(4-bromophenyl)-1-(3-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(4-bromophenyl)-1-(3-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(Cl)c1)N(c1ccc(Br)cc1)C3=O.
What is the InChIKey of 2-(4-bromophenyl)-1-(3-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is OWSWDAALVHWIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrClNO3/c1-13-5-10-19-18(11-13)22(28)20-21(14-3-2-4-16(26)12-14)27(24(29)23(20)30-19)17-8-6-15(25)7-9-17/h2-12,21H,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(3-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(4-bromophenyl)-1-(3-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 480.75 g/mol, XLogP of 6.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(3-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18857899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).