N-[[3-(3-acetylphenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide

C21H20N2O4 — CID 90330454

IUPACN-[[3-(3-acetylphenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCC(=O)c1cccc(-c2cccc(CNC(=O)C3=C(O)C(=O)N(C)C3)c2)c1
InChIInChI=1S/C21H20N2O4/c1-13(24)15-6-4-8-17(10-15)16-7-3-5-14(9-16)11-22-20(26)18-12-23(2)21(27)19(18)25/h3-10,25H,11-12H2,1-2H3,(H,22,26)
InChIKeyVEYMHFWYQUTTKV-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.46
Rot. Bonds5

About N-[[3-(3-acetylphenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide

N-[[3-(3-acetylphenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 90330454) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[[3-(3-acetylphenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-acetylphenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID90330454
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-[[3-(3-acetylphenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCC(=O)c1cccc(-c2cccc(CNC(=O)C3=C(O)C(=O)N(C)C3)c2)c1
InChIInChI=1S/C21H20N2O4/c1-13(24)15-6-4-8-17(10-15)16-7-3-5-14(9-16)11-22-20(26)18-12-23(2)21(27)19(18)25/h3-10,25H,11-12H2,1-2H3,(H,22,26)
InChIKeyVEYMHFWYQUTTKV-UHFFFAOYSA-N
XLogP2.46
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-acetylphenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[[3-(3-acetylphenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide (CID 90330454) is N-[[3-(3-acetylphenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[[3-(3-acetylphenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[[3-(3-acetylphenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide is CC(=O)c1cccc(-c2cccc(CNC(=O)C3=C(O)C(=O)N(C)C3)c2)c1.
What is the InChIKey of N-[[3-(3-acetylphenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is VEYMHFWYQUTTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-13(24)15-6-4-8-17(10-15)16-7-3-5-14(9-16)11-22-20(26)18-12-23(2)21(27)19(18)25/h3-10,25H,11-12H2,1-2H3,(H,22,26).
What are the key properties of N-[[3-(3-acetylphenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
N-[[3-(3-acetylphenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-acetylphenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 90330454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).