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

C25H18ClNO3 — CID 18857318

IUPAC2-(3-chloro-4-methylphenyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)C(c1ccccc1)N(c1ccc(C)c(Cl)c1)C3=O
InChIInChI=1S/C25H18ClNO3/c1-14-8-11-20-18(12-14)23(28)21-22(16-6-4-3-5-7-16)27(25(29)24(21)30-20)17-10-9-15(2)19(26)13-17/h3-13,22H,1-2H3
InChIKeyRMNKSMORLVVPOB-UHFFFAOYSA-N
MW415.88 g/mol
LogP5.81
Rot. Bonds2

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

2-(3-chloro-4-methylphenyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18857318) has the molecular formula C25H18ClNO3 and a molecular weight of 415.88 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18857318
Molecular FormulaC25H18ClNO3
Molecular Weight415.88 g/mol
Exact Mass415.10
IUPAC Name2-(3-chloro-4-methylphenyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)C(c1ccccc1)N(c1ccc(C)c(Cl)c1)C3=O
InChIInChI=1S/C25H18ClNO3/c1-14-8-11-20-18(12-14)23(28)21-22(16-6-4-3-5-7-16)27(25(29)24(21)30-20)17-10-9-15(2)19(26)13-17/h3-13,22H,1-2H3
InChIKeyRMNKSMORLVVPOB-UHFFFAOYSA-N
XLogP5.81
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.88
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857336
7-methyl-2-(4-methylphenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857310
2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857871
2-(3-chloro-4-methylphenyl)-6,7-dimethyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856358
7-methyl-1-(4-methylphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857344
7-bromo-1-(4-bromophenyl)-2-(3-chloro-4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854453
2-(3-bromophenyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857321
7-bromo-2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854327
2-(3-chlorophenyl)-1-(4-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857332
2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856340
2-(3-chloro-4-methylphenyl)-1-(4-ethoxy-3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857532
1-(4-hydroxyphenyl)-7-methyl-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857468

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18857318) is 2-(3-chloro-4-methylphenyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc2oc3c(c(=O)c2c1)C(c1ccccc1)N(c1ccc(C)c(Cl)c1)C3=O.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is RMNKSMORLVVPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClNO3/c1-14-8-11-20-18(12-14)23(28)21-22(16-6-4-3-5-7-16)27(25(29)24(21)30-20)17-10-9-15(2)19(26)13-17/h3-13,22H,1-2H3.
What are the key properties of 2-(3-chloro-4-methylphenyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(3-chloro-4-methylphenyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 415.88 g/mol, XLogP of 5.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18857318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).