4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one

C23H18F2N2O2 — CID 2875789

IUPAC4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2C=C(Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C23H18F2N2O2/c1-29-20-12-2-15(3-13-20)22-14-21(26-18-8-4-16(24)5-9-18)23(28)27(22)19-10-6-17(25)7-11-19/h2-14,22,26H,1H3
InChIKeyZZXCINIXCYUYKC-UHFFFAOYSA-N
MW392.41 g/mol
LogP5.06
Rot. Bonds5

About 4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one

4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one (PubChem CID 2875789) has the molecular formula C23H18F2N2O2 and a molecular weight of 392.41 g/mol. Its IUPAC name is 4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
PubChem CID2875789
Molecular FormulaC23H18F2N2O2
Molecular Weight392.41 g/mol
Exact Mass392.13
IUPAC Name4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2C=C(Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C23H18F2N2O2/c1-29-20-12-2-15(3-13-20)22-14-21(26-18-8-4-16(24)5-9-18)23(28)27(22)19-10-6-17(25)7-11-19/h2-14,22,26H,1H3
InChIKeyZZXCINIXCYUYKC-UHFFFAOYSA-N
XLogP5.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.41
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one (CID 2875789) is 4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one is COc1ccc(C2C=C(Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is ZZXCINIXCYUYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2O2/c1-29-20-12-2-15(3-13-20)22-14-21(26-18-8-4-16(24)5-9-18)23(28)27(22)19-10-6-17(25)7-11-19/h2-14,22,26H,1H3.
What are the key properties of 4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 392.41 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2875789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).