4-anilino-5-oxo-2-phenyl-1-(1-phenylpropyl)-2H-pyrrole-3-carboxylic acid

C26H24N2O3 — CID 174595261

IUPAC4-anilino-5-oxo-2-phenyl-1-(1-phenylpropyl)-2H-pyrrole-3-carboxylic acid
SMILESCCC(c1ccccc1)N1C(=O)C(Nc2ccccc2)=C(C(=O)O)C1c1ccccc1
InChIInChI=1S/C26H24N2O3/c1-2-21(18-12-6-3-7-13-18)28-24(19-14-8-4-9-15-19)22(26(30)31)23(25(28)29)27-20-16-10-5-11-17-20/h3-17,21,24,27H,2H2,1H3,(H,30,31)
InChIKeyUPUCRIVCAHEXBG-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.17
Rot. Bonds7

About 4-anilino-5-oxo-2-phenyl-1-(1-phenylpropyl)-2H-pyrrole-3-carboxylic acid

4-anilino-5-oxo-2-phenyl-1-(1-phenylpropyl)-2H-pyrrole-3-carboxylic acid (PubChem CID 174595261) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-anilino-5-oxo-2-phenyl-1-(1-phenylpropyl)-2H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-anilino-5-oxo-2-phenyl-1-(1-phenylpropyl)-2H-pyrrole-3-carboxylic acid
PubChem CID174595261
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name4-anilino-5-oxo-2-phenyl-1-(1-phenylpropyl)-2H-pyrrole-3-carboxylic acid
SMILESCCC(c1ccccc1)N1C(=O)C(Nc2ccccc2)=C(C(=O)O)C1c1ccccc1
InChIInChI=1S/C26H24N2O3/c1-2-21(18-12-6-3-7-13-18)28-24(19-14-8-4-9-15-19)22(26(30)31)23(25(28)29)27-20-16-10-5-11-17-20/h3-17,21,24,27H,2H2,1H3,(H,30,31)
InChIKeyUPUCRIVCAHEXBG-UHFFFAOYSA-N
XLogP5.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[(2-chlorophenyl)methyl]-3-oxo-2-(1-phenylpropyl)-1H-isoindole-1-carboxamide
CID 68772916
ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate
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(4S)-3-[(1S)-1-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one
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(2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide
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ethyl N-[3-hydroxy-1-(1-phenylpropyl)piperidin-4-yl]carbamate
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methyl 2-[(2S)-3-ethyl-2-phenyl-2H-quinolin-1-yl]-2-phenylacetate
CID 174327474

Frequently Asked Questions

What is the IUPAC name of 4-anilino-5-oxo-2-phenyl-1-(1-phenylpropyl)-2H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-anilino-5-oxo-2-phenyl-1-(1-phenylpropyl)-2H-pyrrole-3-carboxylic acid (CID 174595261) is 4-anilino-5-oxo-2-phenyl-1-(1-phenylpropyl)-2H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-anilino-5-oxo-2-phenyl-1-(1-phenylpropyl)-2H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-anilino-5-oxo-2-phenyl-1-(1-phenylpropyl)-2H-pyrrole-3-carboxylic acid is CCC(c1ccccc1)N1C(=O)C(Nc2ccccc2)=C(C(=O)O)C1c1ccccc1.
What is the InChIKey of 4-anilino-5-oxo-2-phenyl-1-(1-phenylpropyl)-2H-pyrrole-3-carboxylic acid?
The InChIKey is UPUCRIVCAHEXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-2-21(18-12-6-3-7-13-18)28-24(19-14-8-4-9-15-19)22(26(30)31)23(25(28)29)27-20-16-10-5-11-17-20/h3-17,21,24,27H,2H2,1H3,(H,30,31).
What are the key properties of 4-anilino-5-oxo-2-phenyl-1-(1-phenylpropyl)-2H-pyrrole-3-carboxylic acid?
4-anilino-5-oxo-2-phenyl-1-(1-phenylpropyl)-2H-pyrrole-3-carboxylic acid has a molecular weight of 412.49 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-5-oxo-2-phenyl-1-(1-phenylpropyl)-2H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 174595261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).