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

C23H18F2N2O2 — CID 1075189

IUPAC(2R)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1ccc([C@H]2C=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/t22-/m1/s1
InChIKeyZZXCINIXCYUYKC-JOCHJYFZSA-N
MW392.41 g/mol
LogP5.06
Rot. Bonds5

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

(2R)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one (PubChem CID 1075189) has the molecular formula C23H18F2N2O2 and a molecular weight of 392.41 g/mol. Its IUPAC name is (2R)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
PubChem CID1075189
Molecular FormulaC23H18F2N2O2
Molecular Weight392.41 g/mol
Exact Mass392.13
IUPAC Name(2R)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1ccc([C@H]2C=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/t22-/m1/s1
InChIKeyZZXCINIXCYUYKC-JOCHJYFZSA-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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Related Compounds

4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 2875789
(2R)-2-(4-butoxyphenyl)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2H-pyrrol-5-one
CID 7046542
2-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 2865100
(2S)-2-(4-butoxyphenyl)-4-(4-ethylanilino)-1-(4-ethylphenyl)-2H-pyrrol-5-one
CID 7046537
(2R)-4-(4-ethoxyanilino)-1-(4-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 124529529
2-(2,4-dimethoxyphenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 6618167
(2S)-4-(3,4-dimethoxyanilino)-1-(3,4-dimethoxyphenyl)-2-phenyl-2H-pyrrol-5-one
CID 124529511
(2S)-4-anilino-2-(4-hydroxy-3-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one
CID 1121145
4-anilino-2-(2,5-dimethoxyphenyl)-1-phenyl-2H-pyrrol-5-one
CID 2879675
4-(1,3-benzodioxol-5-ylamino)-1-(4-methoxyphenyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 72715861
2-(1,3-benzodioxol-5-yl)-4-(4-methylanilino)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 4693509
(2R)-4-(4-butylanilino)-1-(4-butylphenyl)-2-(2,4-dimethoxyphenyl)-2H-pyrrol-5-one
CID 26517296

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of (2R)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one (CID 1075189) is (2R)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for (2R)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one is COc1ccc([C@H]2C=C(Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1.
What is the InChIKey of (2R)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is ZZXCINIXCYUYKC-JOCHJYFZSA-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/t22-/m1/s1.
What are the key properties of (2R)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
(2R)-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 (2R)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 1075189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).