7-chloro-1-(4-chlorophenyl)-2-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H17Cl2NO3 — CID 18852979

IUPAC7-chloro-1-(4-chlorophenyl)-2-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1ccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H17Cl2NO3/c1-2-14-3-10-18(11-4-14)28-22(15-5-7-16(26)8-6-15)21-23(29)19-13-17(27)9-12-20(19)31-24(21)25(28)30/h3-13,22H,2H2,1H3
InChIKeyFJVXDNMROQZOOQ-UHFFFAOYSA-N
MW450.32 g/mol
LogP6.41
Rot. Bonds3

About 7-chloro-1-(4-chlorophenyl)-2-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-1-(4-chlorophenyl)-2-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18852979) has the molecular formula C25H17Cl2NO3 and a molecular weight of 450.32 g/mol. Its IUPAC name is 7-chloro-1-(4-chlorophenyl)-2-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-1-(4-chlorophenyl)-2-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18852979
Molecular FormulaC25H17Cl2NO3
Molecular Weight450.32 g/mol
Exact Mass449.06
IUPAC Name7-chloro-1-(4-chlorophenyl)-2-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1ccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H17Cl2NO3/c1-2-14-3-10-18(11-4-14)28-22(15-5-7-16(26)8-6-15)21-23(29)19-13-17(27)9-12-20(19)31-24(21)25(28)30/h3-13,22H,2H2,1H3
InChIKeyFJVXDNMROQZOOQ-UHFFFAOYSA-N
XLogP6.41
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.32
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-7-chloro-1-(4-ethylphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7388458
1-(4-ethylphenyl)-7-fluoro-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855631
1-(3-butoxyphenyl)-7-chloro-2-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853620
7-chloro-2-(4-ethylphenyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854293
1-(4-bromophenyl)-2-(4-ethylphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857462
7-chloro-2-(4-ethylphenyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853674
1-(4-tert-butylphenyl)-2-(4-ethylphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857552
7-chloro-1-(4-ethoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853146
2-(4-bromophenyl)-7-chloro-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853487
7-chloro-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852958
1-(4-ethylphenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857644
ethyl 4-[7-chloro-1-(4-methylsulfanylphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18853929

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(4-chlorophenyl)-2-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-1-(4-chlorophenyl)-2-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18852979) is 7-chloro-1-(4-chlorophenyl)-2-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-1-(4-chlorophenyl)-2-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-1-(4-chlorophenyl)-2-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCc1ccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 7-chloro-1-(4-chlorophenyl)-2-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is FJVXDNMROQZOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl2NO3/c1-2-14-3-10-18(11-4-14)28-22(15-5-7-16(26)8-6-15)21-23(29)19-13-17(27)9-12-20(19)31-24(21)25(28)30/h3-13,22H,2H2,1H3.
What are the key properties of 7-chloro-1-(4-chlorophenyl)-2-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-1-(4-chlorophenyl)-2-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 450.32 g/mol, XLogP of 6.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(4-chlorophenyl)-2-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18852979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).