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

C25H17Cl2NO3 — CID 18857433

IUPAC1-(3,4-dichlorophenyl)-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C25H17Cl2NO3/c1-13-3-7-16(8-4-13)28-22(15-6-9-18(26)19(27)12-15)21-23(29)17-11-14(2)5-10-20(17)31-24(21)25(28)30/h3-12,22H,1-2H3
InChIKeyVCWZNGKRNOCAPS-UHFFFAOYSA-N
MW450.32 g/mol
LogP6.47
Rot. Bonds2

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

1-(3,4-dichlorophenyl)-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18857433) has the molecular formula C25H17Cl2NO3 and a molecular weight of 450.32 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18857433
Molecular FormulaC25H17Cl2NO3
Molecular Weight450.32 g/mol
Exact Mass449.06
IUPAC Name1-(3,4-dichlorophenyl)-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C25H17Cl2NO3/c1-13-3-7-16(8-4-13)28-22(15-6-9-18(26)19(27)12-15)21-23(29)17-11-14(2)5-10-20(17)31-24(21)25(28)30/h3-12,22H,1-2H3
InChIKeyVCWZNGKRNOCAPS-UHFFFAOYSA-N
XLogP6.47
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.32
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-1-(3,4-dichlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857443
7-methyl-1-(4-methylphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857344
7-methyl-2-(4-methylphenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857310
(1R)-1-(3,4-dichlorophenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2002212
2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857336
1-(3,4-dichlorophenyl)-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3888955
2-(4-bromophenyl)-1-(3-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857899
2-(4-acetylphenyl)-7-bromo-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854439
2-(3-chloro-4-methylphenyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857318
2-(3-chlorophenyl)-1-(4-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857332
2-(4-fluorophenyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858211
(1R)-7-methyl-1-(4-methylphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7530316

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3,4-dichlorophenyl)-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18857433) is 1-(3,4-dichlorophenyl)-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3,4-dichlorophenyl)-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is VCWZNGKRNOCAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl2NO3/c1-13-3-7-16(8-4-13)28-22(15-6-9-18(26)19(27)12-15)21-23(29)17-11-14(2)5-10-20(17)31-24(21)25(28)30/h3-12,22H,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3,4-dichlorophenyl)-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 450.32 g/mol, XLogP of 6.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18857433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).