2-hydroxy-4-methoxy-1-(3-phenoxyphenyl)-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide

C27H26N2O4 — CID 90928405

IUPAC2-hydroxy-4-methoxy-1-(3-phenoxyphenyl)-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide
SMILESCOc1cn(-c2cccc(Oc3ccccc3)c2)c(O)c1C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C27H26N2O4/c1-18(2)22-14-7-8-15-23(22)28-26(30)25-24(32-3)17-29(27(25)31)19-10-9-13-21(16-19)33-20-11-5-4-6-12-20/h4-18,31H,1-3H3,(H,28,30)
InChIKeyQUHAQEWTWCGJIY-UHFFFAOYSA-N
MW442.52 g/mol
LogP6.36
Rot. Bonds7

About 2-hydroxy-4-methoxy-1-(3-phenoxyphenyl)-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide

2-hydroxy-4-methoxy-1-(3-phenoxyphenyl)-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide (PubChem CID 90928405) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-1-(3-phenoxyphenyl)-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-1-(3-phenoxyphenyl)-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide
PubChem CID90928405
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Name2-hydroxy-4-methoxy-1-(3-phenoxyphenyl)-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide
SMILESCOc1cn(-c2cccc(Oc3ccccc3)c2)c(O)c1C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C27H26N2O4/c1-18(2)22-14-7-8-15-23(22)28-26(30)25-24(32-3)17-29(27(25)31)19-10-9-13-21(16-19)33-20-11-5-4-6-12-20/h4-18,31H,1-3H3,(H,28,30)
InChIKeyQUHAQEWTWCGJIY-UHFFFAOYSA-N
XLogP6.36
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-2,4-dihydroxy-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide
CID 90814480
6-N-(2-methoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109100651
2,6-dichloro-N-(2-propan-2-ylphenyl)benzamide
CID 4547297
2-fluoro-6-hydroxy-N-(2-propan-2-ylphenyl)benzamide
CID 104916685
1-(3-methoxyphenyl)-3-(2-propan-2-ylphenyl)urea
CID 99129467
N-(2-propan-2-ylphenyl)benzamide
CID 723391
1,2,5-trimethyl-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide
CID 125145147
N-[2-(1-hydroxyethyl)phenyl]-4-phenoxybenzamide
CID 110885288
2,4-dihydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide
CID 91149221
3-ethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 799138
3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid
CID 43452749
5-[(3-methoxyphenyl)methoxy]-1-methyl-4-oxo-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 42442156

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-1-(3-phenoxyphenyl)-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 2-hydroxy-4-methoxy-1-(3-phenoxyphenyl)-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide (CID 90928405) is 2-hydroxy-4-methoxy-1-(3-phenoxyphenyl)-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 2-hydroxy-4-methoxy-1-(3-phenoxyphenyl)-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 2-hydroxy-4-methoxy-1-(3-phenoxyphenyl)-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide is COc1cn(-c2cccc(Oc3ccccc3)c2)c(O)c1C(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 2-hydroxy-4-methoxy-1-(3-phenoxyphenyl)-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide?
The InChIKey is QUHAQEWTWCGJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-18(2)22-14-7-8-15-23(22)28-26(30)25-24(32-3)17-29(27(25)31)19-10-9-13-21(16-19)33-20-11-5-4-6-12-20/h4-18,31H,1-3H3,(H,28,30).
What are the key properties of 2-hydroxy-4-methoxy-1-(3-phenoxyphenyl)-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide?
2-hydroxy-4-methoxy-1-(3-phenoxyphenyl)-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 6.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-1-(3-phenoxyphenyl)-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 90928405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).