2-(4-anilino-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid

C24H20N2O3 — CID 2868640

IUPAC2-(4-anilino-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid
SMILESO=C(O)CC1=C(Nc2ccccc2)C(=O)N(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C24H20N2O3/c27-21(28)16-20-22(25-18-12-6-2-7-13-18)24(29)26(19-14-8-3-9-15-19)23(20)17-10-4-1-5-11-17/h1-15,23,25H,16H2,(H,27,28)
InChIKeyJNLADQBGUSGWRI-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.62
Rot. Bonds6

About 2-(4-anilino-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid

2-(4-anilino-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid (PubChem CID 2868640) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-(4-anilino-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-anilino-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid
PubChem CID2868640
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name2-(4-anilino-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid
SMILESO=C(O)CC1=C(Nc2ccccc2)C(=O)N(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C24H20N2O3/c27-21(28)16-20-22(25-18-12-6-2-7-13-18)24(29)26(19-14-8-3-9-15-19)23(20)17-10-4-1-5-11-17/h1-15,23,25H,16H2,(H,27,28)
InChIKeyJNLADQBGUSGWRI-UHFFFAOYSA-N
XLogP4.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Benazeprilat
CID 5463984
1H-Pyrrole-3-acetic acid, 2,5-dihydro-2-(4-fluorophenyl)-5-oxo-1-phenyl-4-(phenylamino)-
CID 3073462
2-[[1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-phenylbutanoic acid
CID 10475845
1-benzyl-3-phenyl-4-(phenylamino)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 24768116
(+/-)-2-(2-Cinnamamidobenzamido)-3-phenylpropanoic acid
CID 11200806
(2S)-3-phenyl-2-[(4-phenylpiperazine-1-carbonyl)amino]propanoic acid
CID 2012635
2-[1-benzyl-2-oxo-(5S)-dihydro-1H-5-pyrrolylcarboxamido]-3-(4-phenylcarboxamidophenyl)-(2S)-propanoic acid
CID 12043252
(2S)-2-[[(3S)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-phenylbutanoic acid;hydrochloride
CID 13243516
(2S)-2-[[(3S)-1-(carboxymethyl)-2-oxo-3,4,5,6-tetrahydro-1-benzazocin-3-yl]amino]-4-phenylbutanoic acid;hydrochloride
CID 13491287
(2S)-2-[[(3R)-1-(carboxymethyl)-2-oxo-3,4,5,6-tetrahydro-1-benzazocin-3-yl]amino]-4-phenylbutanoic acid;hydrochloride
CID 13491289
1H-Pyrrole-3-acetic acid, 2,5-dihydro-1,2-diphenyl-4-hydroxy-5-oxo-
CID 2868155
1H-Pyrrole-3-acetic acid, 2,5-dihydro-2-(4-bromophenyl)-5-oxo-1-phenyl-4-(phenylamino)-
CID 2868636

Frequently Asked Questions

What is the IUPAC name of 2-(4-anilino-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid?
The IUPAC name of 2-(4-anilino-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid (CID 2868640) is 2-(4-anilino-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid.
What is the SMILES notation for 2-(4-anilino-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid?
The canonical SMILES for 2-(4-anilino-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid is O=C(O)CC1=C(Nc2ccccc2)C(=O)N(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 2-(4-anilino-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid?
The InChIKey is JNLADQBGUSGWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c27-21(28)16-20-22(25-18-12-6-2-7-13-18)24(29)26(19-14-8-3-9-15-19)23(20)17-10-4-1-5-11-17/h1-15,23,25H,16H2,(H,27,28).
What are the key properties of 2-(4-anilino-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid?
2-(4-anilino-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid has a molecular weight of 384.44 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anilino-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid is sourced from PubChem (CID 2868640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).