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

C23H15ClF2N2O2 — CID 110586729

IUPAC1-(3-chloro-2-methylphenyl)-3-(3-fluoroanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
SMILESCc1c(Cl)cccc1N1C(=O)C(Nc2cccc(F)c2)=C(c2ccc(F)cc2)C1=O
InChIInChI=1S/C23H15ClF2N2O2/c1-13-18(24)6-3-7-19(13)28-22(29)20(14-8-10-15(25)11-9-14)21(23(28)30)27-17-5-2-4-16(26)12-17/h2-12,27H,1H3
InChIKeyAKPRQLWWFYGFKM-UHFFFAOYSA-N
MW424.83 g/mol
LogP5.32
Rot. Bonds4

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

1-(3-chloro-2-methylphenyl)-3-(3-fluoroanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione (PubChem CID 110586729) has the molecular formula C23H15ClF2N2O2 and a molecular weight of 424.83 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-(3-fluoroanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-(3-fluoroanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
PubChem CID110586729
Molecular FormulaC23H15ClF2N2O2
Molecular Weight424.83 g/mol
Exact Mass424.08
IUPAC Name1-(3-chloro-2-methylphenyl)-3-(3-fluoroanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
SMILESCc1c(Cl)cccc1N1C(=O)C(Nc2cccc(F)c2)=C(c2ccc(F)cc2)C1=O
InChIInChI=1S/C23H15ClF2N2O2/c1-13-18(24)6-3-7-19(13)28-22(29)20(14-8-10-15(25)11-9-14)21(23(28)30)27-17-5-2-4-16(26)12-17/h2-12,27H,1H3
InChIKeyAKPRQLWWFYGFKM-UHFFFAOYSA-N
XLogP5.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.83
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-3-(3-fluoroanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110587573
1-(3-chloro-2-methylphenyl)-3-(4-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586736
1-(3-chloro-2-methylphenyl)-3-(4-fluorophenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110586722
3-(3-fluoroanilino)-4-(4-fluorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110587449
3-(3-fluoroanilino)-4-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110587281
1-(2-chlorophenyl)-3-(4-ethoxyphenyl)-4-(3-fluoroanilino)pyrrole-2,5-dione
CID 110588490
1-(4-chlorophenyl)-3-(3-fluoroanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110587052
1-(3-chloro-2-methylphenyl)-3-(3,4-dimethylanilino)-4-phenylpyrrole-2,5-dione
CID 110595103
3-(3-fluoroanilino)-4-(4-fluorophenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110587203
3-(3-fluoroanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110595208
1-(2,5-difluorophenyl)-3-(3,4-dimethylphenyl)-4-(3-fluoroanilino)pyrrole-2,5-dione
CID 110589956
1-(3-chloro-2-methylphenyl)-3-(3,4-dimethylphenyl)-4-(4-ethylanilino)pyrrole-2,5-dione
CID 110589323

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(3-fluoroanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(3-fluoroanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione (CID 110586729) is 1-(3-chloro-2-methylphenyl)-3-(3-fluoroanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-(3-fluoroanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-(3-fluoroanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione is Cc1c(Cl)cccc1N1C(=O)C(Nc2cccc(F)c2)=C(c2ccc(F)cc2)C1=O.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-(3-fluoroanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione?
The InChIKey is AKPRQLWWFYGFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF2N2O2/c1-13-18(24)6-3-7-19(13)28-22(29)20(14-8-10-15(25)11-9-14)21(23(28)30)27-17-5-2-4-16(26)12-17/h2-12,27H,1H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-(3-fluoroanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione?
1-(3-chloro-2-methylphenyl)-3-(3-fluoroanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione has a molecular weight of 424.83 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-(3-fluoroanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110586729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).