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

C25H16Cl3NO4 — CID 18857443

IUPAC2-(3-chloro-4-methoxyphenyl)-1-(3,4-dichlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C25H16Cl3NO4/c1-12-3-7-19-15(9-12)23(30)21-22(13-4-6-16(26)17(27)10-13)29(25(31)24(21)33-19)14-5-8-20(32-2)18(28)11-14/h3-11,22H,1-2H3
InChIKeyDLRDFQNFADGXGE-UHFFFAOYSA-N
MW500.77 g/mol
LogP6.82
Rot. Bonds3

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

2-(3-chloro-4-methoxyphenyl)-1-(3,4-dichlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18857443) has the molecular formula C25H16Cl3NO4 and a molecular weight of 500.77 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-1-(3,4-dichlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-1-(3,4-dichlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18857443
Molecular FormulaC25H16Cl3NO4
Molecular Weight500.77 g/mol
Exact Mass499.01
IUPAC Name2-(3-chloro-4-methoxyphenyl)-1-(3,4-dichlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C25H16Cl3NO4/c1-12-3-7-19-15(9-12)23(30)21-22(13-4-6-16(26)17(27)10-13)29(25(31)24(21)33-19)14-5-8-20(32-2)18(28)11-14/h3-11,22H,1-2H3
InChIKeyDLRDFQNFADGXGE-UHFFFAOYSA-N
XLogP6.82
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.77
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-2-(3-chloro-4-methoxyphenyl)-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854436
2-(3-chloro-4-methoxyphenyl)-1-(4-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857479
1-(3,4-dichlorophenyl)-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857433
2-(3-chloro-4-methoxyphenyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858249
2-(3-chloro-4-methylphenyl)-1-(4-ethoxy-3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857532
2-(3-chloro-4-methoxyphenyl)-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858177
2-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856341
2-(3-chloro-4-methylphenyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858248
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-methoxyphenyl)-1-(4-ethoxy-3-methoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855533
methyl 4-[7-chloro-2-(3-chloro-4-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 18853530
1-(3-bromophenyl)-2-(3-chloro-4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856392

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-1-(3,4-dichlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-1-(3,4-dichlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18857443) is 2-(3-chloro-4-methoxyphenyl)-1-(3,4-dichlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-1-(3,4-dichlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-1-(3,4-dichlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccc(Cl)c(Cl)c2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-1-(3,4-dichlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is DLRDFQNFADGXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl3NO4/c1-12-3-7-19-15(9-12)23(30)21-22(13-4-6-16(26)17(27)10-13)29(25(31)24(21)33-19)14-5-8-20(32-2)18(28)11-14/h3-11,22H,1-2H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-1-(3,4-dichlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(3-chloro-4-methoxyphenyl)-1-(3,4-dichlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 500.77 g/mol, XLogP of 6.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-1-(3,4-dichlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18857443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).