3-chloro-4-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione

C18H13ClFNO2 — CID 110582148

IUPAC3-chloro-4-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(Cl)C(=O)N(c3ccc(F)cc3)C2=O)cc1C
InChIInChI=1S/C18H13ClFNO2/c1-10-3-4-12(9-11(10)2)15-16(19)18(23)21(17(15)22)14-7-5-13(20)6-8-14/h3-9H,1-2H3
InChIKeyGTRMPZIXLIHUBX-UHFFFAOYSA-N
MW329.76 g/mol
LogP3.97
Rot. Bonds2

About 3-chloro-4-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione

3-chloro-4-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione (PubChem CID 110582148) has the molecular formula C18H13ClFNO2 and a molecular weight of 329.76 g/mol. Its IUPAC name is 3-chloro-4-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione
PubChem CID110582148
Molecular FormulaC18H13ClFNO2
Molecular Weight329.76 g/mol
Exact Mass329.06
IUPAC Name3-chloro-4-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(Cl)C(=O)N(c3ccc(F)cc3)C2=O)cc1C
InChIInChI=1S/C18H13ClFNO2/c1-10-3-4-12(9-11(10)2)15-16(19)18(23)21(17(15)22)14-7-5-13(20)6-8-14/h3-9H,1-2H3
InChIKeyGTRMPZIXLIHUBX-UHFFFAOYSA-N
XLogP3.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.76
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-1-(3-chloro-4-fluorophenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110582166
3-chloro-1-(2,5-difluorophenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110582201
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(4-fluoroanilino)pyrrole-2,5-dione
CID 110589576
3-chloro-4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110584110
1-(4-bromophenyl)-3-chloro-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110580868
3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110549722
3-[benzyl(methyl)amino]-4-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione
CID 110549718
3-chloro-4-(3,4-dimethylphenyl)-1-(3-ethoxyphenyl)pyrrole-2,5-dione
CID 110582083
3-chloro-4-(4-fluorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110580877
3-chloro-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584277
3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110549706
3-(3,4-dimethylanilino)-4-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110587404

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione (CID 110582148) is 3-chloro-4-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione is Cc1ccc(C2=C(Cl)C(=O)N(c3ccc(F)cc3)C2=O)cc1C.
What is the InChIKey of 3-chloro-4-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione?
The InChIKey is GTRMPZIXLIHUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO2/c1-10-3-4-12(9-11(10)2)15-16(19)18(23)21(17(15)22)14-7-5-13(20)6-8-14/h3-9H,1-2H3.
What are the key properties of 3-chloro-4-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione?
3-chloro-4-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione has a molecular weight of 329.76 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110582148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).