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

C17H11ClFNO2 — CID 110580877

IUPAC3-chloro-4-(4-fluorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccccc1N1C(=O)C(Cl)=C(c2ccc(F)cc2)C1=O
InChIInChI=1S/C17H11ClFNO2/c1-10-4-2-3-5-13(10)20-16(21)14(15(18)17(20)22)11-6-8-12(19)9-7-11/h2-9H,1H3
InChIKeyDMDXCDKYRMBERZ-UHFFFAOYSA-N
MW315.73 g/mol
LogP3.66
Rot. Bonds2

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

3-chloro-4-(4-fluorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione (PubChem CID 110580877) has the molecular formula C17H11ClFNO2 and a molecular weight of 315.73 g/mol. Its IUPAC name is 3-chloro-4-(4-fluorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(4-fluorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
PubChem CID110580877
Molecular FormulaC17H11ClFNO2
Molecular Weight315.73 g/mol
Exact Mass315.05
IUPAC Name3-chloro-4-(4-fluorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccccc1N1C(=O)C(Cl)=C(c2ccc(F)cc2)C1=O
InChIInChI=1S/C17H11ClFNO2/c1-10-4-2-3-5-13(10)20-16(21)14(15(18)17(20)22)11-6-8-12(19)9-7-11/h2-9H,1H3
InChIKeyDMDXCDKYRMBERZ-UHFFFAOYSA-N
XLogP3.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 53.66
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-4-(4-fluorophenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110580860
3-chloro-1-(2-methylphenyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110584674
3-(3-fluoroanilino)-4-(4-fluorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110587449
3-(N-ethylanilino)-4-(4-fluorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110545874
3-chloro-4-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione
CID 110582148
3-chloro-1-(2,5-difluorophenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110582201
3-(4-fluorophenyl)-4-(4-methoxyanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110587455
3-chloro-1-(4-chloro-2-methylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584265
3-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110571332
1-(4-bromophenyl)-3-chloro-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110580868
3-chloro-1-(2-chlorophenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110583260
1-(5-chloro-2-methylphenyl)-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione
CID 110582945

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-fluorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-(4-fluorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione (CID 110580877) is 3-chloro-4-(4-fluorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-(4-fluorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-(4-fluorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione is Cc1ccccc1N1C(=O)C(Cl)=C(c2ccc(F)cc2)C1=O.
What is the InChIKey of 3-chloro-4-(4-fluorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione?
The InChIKey is DMDXCDKYRMBERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFNO2/c1-10-4-2-3-5-13(10)20-16(21)14(15(18)17(20)22)11-6-8-12(19)9-7-11/h2-9H,1H3.
What are the key properties of 3-chloro-4-(4-fluorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione?
3-chloro-4-(4-fluorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione has a molecular weight of 315.73 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-fluorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110580877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).