2-[4-(4-fluoroanilino)-1-(4-fluorophenyl)-5-oxo-2-phenyl-2H-pyrrol-3-yl]acetic acid

C24H18F2N2O3 — CID 3386007

IUPAC2-[4-(4-fluoroanilino)-1-(4-fluorophenyl)-5-oxo-2-phenyl-2H-pyrrol-3-yl]acetic acid
SMILESO=C(O)CC1=C(Nc2ccc(F)cc2)C(=O)N(c2ccc(F)cc2)C1c1ccccc1
InChIInChI=1S/C24H18F2N2O3/c25-16-6-10-18(11-7-16)27-22-20(14-21(29)30)23(15-4-2-1-3-5-15)28(24(22)31)19-12-8-17(26)9-13-19/h1-13,23,27H,14H2,(H,29,30)
InChIKeyMNXZLYQUEYRVHG-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.89
Rot. Bonds6

About 2-[4-(4-fluoroanilino)-1-(4-fluorophenyl)-5-oxo-2-phenyl-2H-pyrrol-3-yl]acetic acid

2-[4-(4-fluoroanilino)-1-(4-fluorophenyl)-5-oxo-2-phenyl-2H-pyrrol-3-yl]acetic acid (PubChem CID 3386007) has the molecular formula C24H18F2N2O3 and a molecular weight of 420.42 g/mol. Its IUPAC name is 2-[4-(4-fluoroanilino)-1-(4-fluorophenyl)-5-oxo-2-phenyl-2H-pyrrol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-fluoroanilino)-1-(4-fluorophenyl)-5-oxo-2-phenyl-2H-pyrrol-3-yl]acetic acid
PubChem CID3386007
Molecular FormulaC24H18F2N2O3
Molecular Weight420.42 g/mol
Exact Mass420.13
IUPAC Name2-[4-(4-fluoroanilino)-1-(4-fluorophenyl)-5-oxo-2-phenyl-2H-pyrrol-3-yl]acetic acid
SMILESO=C(O)CC1=C(Nc2ccc(F)cc2)C(=O)N(c2ccc(F)cc2)C1c1ccccc1
InChIInChI=1S/C24H18F2N2O3/c25-16-6-10-18(11-7-16)27-22-20(14-21(29)30)23(15-4-2-1-3-5-15)28(24(22)31)19-12-8-17(26)9-13-19/h1-13,23,27H,14H2,(H,29,30)
InChIKeyMNXZLYQUEYRVHG-UHFFFAOYSA-N
XLogP4.89
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Pyrrole-3-acetic acid, 2,5-dihydro-2-(4-fluorophenyl)-5-oxo-1-phenyl-4-(phenylamino)-
CID 3073462
(S)-2-[(1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-amino]-3-[4-(4-fluoro-2-trifluoromethyl-benzoylamino)-phenyl]-propionic acid
CID 44376294
2-[1-benzyl-2-oxo-(5S)-dihydro-1H-5-pyrrolylcarboxamido]-3-(4-phenylcarboxamidophenyl)-(2S)-propanoic acid
CID 12043252
3-[[2-(2-fluorophenyl)-3-oxo-1H-pyrazole-5-carbonyl]amino]-3-[4-(4-fluorophenyl)phenyl]propanoic acid
CID 71462414
1H-Pyrrole-3-acetic acid, 2,5-dihydro-2-(4-bromophenyl)-5-oxo-1-phenyl-4-(phenylamino)-
CID 2868636
1H-Pyrrole-3-acetic acid, 2,5-dihydro-1-(2-methoxyphenyl)-4-((4-methylphenyl)amino)-5-oxo-2-phenyl-
CID 3073463
(S)-2-{[4-(4-Fluoro-phenyl)-piperazine-1-carbonyl]-amino}-3-phenyl-propionic acid
CID 2001962
Bn-Pyr-Phe(CONHPh)(CONHPh)-OH
CID 44279070
(S)-2-[(1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-amino]-3-[4-(2,4,5-trifluoro-benzoylamino)-phenyl]-propionic acid
CID 44376538
4-[1-[2-(2-Fluoroanilino)-2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidin-2-yl]benzoic acid
CID 71580572
4-[4-[1-(2-fluoroanilino)-2-[(2S)-2-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]benzoic acid
CID 71719579
[2-(4-chlorophenyl)-5-oxo-1-phenyl-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl]acetic acid
CID 3924438

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoroanilino)-1-(4-fluorophenyl)-5-oxo-2-phenyl-2H-pyrrol-3-yl]acetic acid?
The IUPAC name of 2-[4-(4-fluoroanilino)-1-(4-fluorophenyl)-5-oxo-2-phenyl-2H-pyrrol-3-yl]acetic acid (CID 3386007) is 2-[4-(4-fluoroanilino)-1-(4-fluorophenyl)-5-oxo-2-phenyl-2H-pyrrol-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-fluoroanilino)-1-(4-fluorophenyl)-5-oxo-2-phenyl-2H-pyrrol-3-yl]acetic acid?
The canonical SMILES for 2-[4-(4-fluoroanilino)-1-(4-fluorophenyl)-5-oxo-2-phenyl-2H-pyrrol-3-yl]acetic acid is O=C(O)CC1=C(Nc2ccc(F)cc2)C(=O)N(c2ccc(F)cc2)C1c1ccccc1.
What is the InChIKey of 2-[4-(4-fluoroanilino)-1-(4-fluorophenyl)-5-oxo-2-phenyl-2H-pyrrol-3-yl]acetic acid?
The InChIKey is MNXZLYQUEYRVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O3/c25-16-6-10-18(11-7-16)27-22-20(14-21(29)30)23(15-4-2-1-3-5-15)28(24(22)31)19-12-8-17(26)9-13-19/h1-13,23,27H,14H2,(H,29,30).
What are the key properties of 2-[4-(4-fluoroanilino)-1-(4-fluorophenyl)-5-oxo-2-phenyl-2H-pyrrol-3-yl]acetic acid?
2-[4-(4-fluoroanilino)-1-(4-fluorophenyl)-5-oxo-2-phenyl-2H-pyrrol-3-yl]acetic acid has a molecular weight of 420.42 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluoroanilino)-1-(4-fluorophenyl)-5-oxo-2-phenyl-2H-pyrrol-3-yl]acetic acid is sourced from PubChem (CID 3386007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).