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

C25H18ClNO3 — CID 4678491

IUPAC1-(4-chlorophenyl)-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H18ClNO3/c1-15-6-8-16(9-7-15)14-27-22(17-10-12-18(26)13-11-17)21-23(28)19-4-2-3-5-20(19)30-24(21)25(27)29/h2-13,22H,14H2,1H3
InChIKeyPVBBKXFZMTUXHP-UHFFFAOYSA-N
MW415.88 g/mol
LogP5.50
Rot. Bonds3

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

1-(4-chlorophenyl)-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4678491) has the molecular formula C25H18ClNO3 and a molecular weight of 415.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4678491
Molecular FormulaC25H18ClNO3
Molecular Weight415.88 g/mol
Exact Mass415.10
IUPAC Name1-(4-chlorophenyl)-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H18ClNO3/c1-15-6-8-16(9-7-15)14-27-22(17-10-12-18(26)13-11-17)21-23(28)19-4-2-3-5-20(19)30-24(21)25(27)29/h2-13,22H,14H2,1H3
InChIKeyPVBBKXFZMTUXHP-UHFFFAOYSA-N
XLogP5.50
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.88
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylphenyl)methyl]-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3347808
1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809538
2-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19113960
(1R)-1-(4-butoxyphenyl)-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2213890
2-benzyl-7-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3844577
(1S)-7-chloro-1-(4-hydroxyphenyl)-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2144422
1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809737
1-(4-chlorophenyl)-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3786941
(1R)-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7735686
1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3957445
7-chloro-1-(4-methylphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3790908
1-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4986790

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-chlorophenyl)-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4678491) is 1-(4-chlorophenyl)-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is PVBBKXFZMTUXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClNO3/c1-15-6-8-16(9-7-15)14-27-22(17-10-12-18(26)13-11-17)21-23(28)19-4-2-3-5-20(19)30-24(21)25(27)29/h2-13,22H,14H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-chlorophenyl)-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 415.88 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4678491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).