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

C26H24F2N2O2 — CID 7046542

IUPAC(2R)-2-(4-butoxyphenyl)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2H-pyrrol-5-one
SMILESCCCCOc1ccc([C@H]2C=C(Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C26H24F2N2O2/c1-2-3-16-32-23-14-4-18(5-15-23)25-17-24(29-21-10-6-19(27)7-11-21)26(31)30(25)22-12-8-20(28)9-13-22/h4-15,17,25,29H,2-3,16H2,1H3/t25-/m1/s1
InChIKeyQCHPYXPGHNQSIV-RUZDIDTESA-N
MW434.49 g/mol
LogP6.23
Rot. Bonds8

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

(2R)-2-(4-butoxyphenyl)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2H-pyrrol-5-one (PubChem CID 7046542) has the molecular formula C26H24F2N2O2 and a molecular weight of 434.49 g/mol. Its IUPAC name is (2R)-2-(4-butoxyphenyl)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-2-(4-butoxyphenyl)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2H-pyrrol-5-one
PubChem CID7046542
Molecular FormulaC26H24F2N2O2
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC Name(2R)-2-(4-butoxyphenyl)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2H-pyrrol-5-one
SMILESCCCCOc1ccc([C@H]2C=C(Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C26H24F2N2O2/c1-2-3-16-32-23-14-4-18(5-15-23)25-17-24(29-21-10-6-19(27)7-11-21)26(31)30(25)22-12-8-20(28)9-13-22/h4-15,17,25,29H,2-3,16H2,1H3/t25-/m1/s1
InChIKeyQCHPYXPGHNQSIV-RUZDIDTESA-N
XLogP6.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.49
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-butoxyphenyl)-4-(4-ethylanilino)-1-(4-ethylphenyl)-2H-pyrrol-5-one
CID 7046537
4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 2875789
(2R)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 1075189
2-(4-butoxyphenyl)-4-(3,4-dimethylanilino)-1-(3,4-dimethylphenyl)-2H-pyrrol-5-one
CID 5184829
(2R)-4-(4-ethoxyanilino)-1-(4-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 124529529
2-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 2865100
methyl 4-(4-butoxyphenyl)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxylate
CID 70951984
(2R)-4-(4-butylanilino)-1-(4-butylphenyl)-2-(2,4-dimethoxyphenyl)-2H-pyrrol-5-one
CID 26517296
4-butoxy-N-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 42667006
(2S,6S)-2-[(2R,3S)-2-(4-butoxyphenyl)-1-(4-fluorophenyl)-4-oxoazetidin-3-yl]oxy-2,4,5-trimethyl-6-phenylmorpholin-3-one
CID 71156320
2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 4732741
4-fluoro-N-[(4-heptoxyphenyl)methyl]aniline
CID 54796471

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-butoxyphenyl)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2H-pyrrol-5-one?
The IUPAC name of (2R)-2-(4-butoxyphenyl)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2H-pyrrol-5-one (CID 7046542) is (2R)-2-(4-butoxyphenyl)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-2-(4-butoxyphenyl)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2H-pyrrol-5-one?
The canonical SMILES for (2R)-2-(4-butoxyphenyl)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2H-pyrrol-5-one is CCCCOc1ccc([C@H]2C=C(Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1.
What is the InChIKey of (2R)-2-(4-butoxyphenyl)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2H-pyrrol-5-one?
The InChIKey is QCHPYXPGHNQSIV-RUZDIDTESA-N. The full InChI is InChI=1S/C26H24F2N2O2/c1-2-3-16-32-23-14-4-18(5-15-23)25-17-24(29-21-10-6-19(27)7-11-21)26(31)30(25)22-12-8-20(28)9-13-22/h4-15,17,25,29H,2-3,16H2,1H3/t25-/m1/s1.
What are the key properties of (2R)-2-(4-butoxyphenyl)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2H-pyrrol-5-one?
(2R)-2-(4-butoxyphenyl)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2H-pyrrol-5-one has a molecular weight of 434.49 g/mol, XLogP of 6.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-butoxyphenyl)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 7046542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).