1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H19Cl2NO3 — CID 19108823

IUPAC1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(Cc1ccccc1Cl)C3c1cccc(Cl)c1
InChIInChI=1S/C26H19Cl2NO3/c1-14-10-15(2)21-20(11-14)32-25-22(24(21)30)23(16-7-5-8-18(27)12-16)29(26(25)31)13-17-6-3-4-9-19(17)28/h3-12,23H,13H2,1-2H3
InChIKeyHDXJHONSIFPOCT-UHFFFAOYSA-N
MW464.35 g/mol
LogP6.46
Rot. Bonds3

About 1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19108823) has the molecular formula C26H19Cl2NO3 and a molecular weight of 464.35 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19108823
Molecular FormulaC26H19Cl2NO3
Molecular Weight464.35 g/mol
Exact Mass463.07
IUPAC Name1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(Cc1ccccc1Cl)C3c1cccc(Cl)c1
InChIInChI=1S/C26H19Cl2NO3/c1-14-10-15(2)21-20(11-14)32-25-22(24(21)30)23(16-7-5-8-18(27)12-16)29(26(25)31)13-17-6-3-4-9-19(17)28/h3-12,23H,13H2,1-2H3
InChIKeyHDXJHONSIFPOCT-UHFFFAOYSA-N
XLogP6.46
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.35
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

2-[(2-chlorophenyl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890784
2-butyl-1-(3-chlorophenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108817
2-[(2-chlorophenyl)methyl]-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890938
(1R)-1-(3-chlorophenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 39865687
7-bromo-1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810608
1-(3-bromophenyl)-7-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882594
2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 43864143
1-(3,4-dichlorophenyl)-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890659
2-[(2-chlorophenyl)methyl]-7-methyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809795
2-[(2-chlorophenyl)methyl]-1-(3-ethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809877
1-(4-bromophenyl)-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890683
2-benzyl-6,8-dimethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890900

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 19108823) is 1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(Cc1ccccc1Cl)C3c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is HDXJHONSIFPOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2NO3/c1-14-10-15(2)21-20(11-14)32-25-22(24(21)30)23(16-7-5-8-18(27)12-16)29(26(25)31)13-17-6-3-4-9-19(17)28/h3-12,23H,13H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 464.35 g/mol, XLogP of 6.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19108823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).