3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione

C19H16ClFN2O2 — CID 110599618

IUPAC3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione
SMILESCC(C)N1C(=O)C(Nc2cccc(F)c2)=C(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C19H16ClFN2O2/c1-11(2)23-18(24)16(12-6-8-13(20)9-7-12)17(19(23)25)22-15-5-3-4-14(21)10-15/h3-11,22H,1-2H3
InChIKeyUUBMHSHAGWKLFC-UHFFFAOYSA-N
MW358.80 g/mol
LogP4.08
Rot. Bonds4

About 3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione

3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione (PubChem CID 110599618) has the molecular formula C19H16ClFN2O2 and a molecular weight of 358.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione
PubChem CID110599618
Molecular FormulaC19H16ClFN2O2
Molecular Weight358.80 g/mol
Exact Mass358.09
IUPAC Name3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione
SMILESCC(C)N1C(=O)C(Nc2cccc(F)c2)=C(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C19H16ClFN2O2/c1-11(2)23-18(24)16(12-6-8-13(20)9-7-12)17(19(23)25)22-15-5-3-4-14(21)10-15/h3-11,22H,1-2H3
InChIKeyUUBMHSHAGWKLFC-UHFFFAOYSA-N
XLogP4.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 54.08
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

3-(3-fluoroanilino)-4-(4-fluorophenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110586633
3-(4-fluorophenyl)-1-propan-2-yl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110586637
1-(4-chlorophenyl)-3-(3-fluoroanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110587052
3-(1,3-benzodioxol-5-ylamino)-4-(4-chlorophenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110570322
3-(3-ethoxyanilino)-4-(4-fluorophenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110586623
3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110599758
3-anilino-4-phenyl-1-propan-2-ylpyrrole-2,5-dione
CID 110594986
3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110599051
3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
CID 110599581
3-(4-chlorophenyl)-4-(4-fluoroanilino)-1-(3-fluorophenyl)pyrrole-2,5-dione
CID 110599639
1-(2-chlorophenyl)-3-(3-fluoroanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110587573
1-(3-chloro-2-methylphenyl)-3-(3-fluoroanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586729

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione (CID 110599618) is 3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione is CC(C)N1C(=O)C(Nc2cccc(F)c2)=C(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione?
The InChIKey is UUBMHSHAGWKLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2/c1-11(2)23-18(24)16(12-6-8-13(20)9-7-12)17(19(23)25)22-15-5-3-4-14(21)10-15/h3-11,22H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione?
3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione has a molecular weight of 358.80 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110599618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).