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

C24H14Br2ClNO3 — CID 18854453

IUPAC7-bromo-1-(4-bromophenyl)-2-(3-chloro-4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C24H14Br2ClNO3/c1-12-2-8-16(11-18(12)27)28-21(13-3-5-14(25)6-4-13)20-22(29)17-10-15(26)7-9-19(17)31-23(20)24(28)30/h2-11,21H,1H3
InChIKeyNQYJKEPXJTUIPO-UHFFFAOYSA-N
MW559.64 g/mol
LogP7.03
Rot. Bonds2

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

7-bromo-1-(4-bromophenyl)-2-(3-chloro-4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18854453) has the molecular formula C24H14Br2ClNO3 and a molecular weight of 559.64 g/mol. Its IUPAC name is 7-bromo-1-(4-bromophenyl)-2-(3-chloro-4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-1-(4-bromophenyl)-2-(3-chloro-4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18854453
Molecular FormulaC24H14Br2ClNO3
Molecular Weight559.64 g/mol
Exact Mass556.90
IUPAC Name7-bromo-1-(4-bromophenyl)-2-(3-chloro-4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C24H14Br2ClNO3/c1-12-2-8-16(11-18(12)27)28-21(13-3-5-14(25)6-4-13)20-22(29)17-10-15(26)7-9-19(17)31-23(20)24(28)30/h2-11,21H,1H3
InChIKeyNQYJKEPXJTUIPO-UHFFFAOYSA-N
XLogP7.03
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.64
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854327
7-bromo-1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854447
2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857336
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
2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856340
7-bromo-2-(4-bromophenyl)-1-(4-tert-butylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854536
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-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854645
2-(4-bromophenyl)-7-chloro-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853487

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(4-bromophenyl)-2-(3-chloro-4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-1-(4-bromophenyl)-2-(3-chloro-4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18854453) is 7-bromo-1-(4-bromophenyl)-2-(3-chloro-4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-1-(4-bromophenyl)-2-(3-chloro-4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-1-(4-bromophenyl)-2-(3-chloro-4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2ccc(Br)cc2)cc1Cl.
What is the InChIKey of 7-bromo-1-(4-bromophenyl)-2-(3-chloro-4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is NQYJKEPXJTUIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Br2ClNO3/c1-12-2-8-16(11-18(12)27)28-21(13-3-5-14(25)6-4-13)20-22(29)17-10-15(26)7-9-19(17)31-23(20)24(28)30/h2-11,21H,1H3.
What are the key properties of 7-bromo-1-(4-bromophenyl)-2-(3-chloro-4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-1-(4-bromophenyl)-2-(3-chloro-4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 559.64 g/mol, XLogP of 7.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(4-bromophenyl)-2-(3-chloro-4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18854453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).