N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

C23H23F3N2O2 — CID 59807955

IUPACN-ethyl-N-(5-hydroxy-2-methylphenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
SMILESCCN(C(=O)c1cc(C)n(-c2ccccc2C(F)(F)F)c1C)c1cc(O)ccc1C
InChIInChI=1S/C23H23F3N2O2/c1-5-27(21-13-17(29)11-10-14(21)2)22(30)18-12-15(3)28(16(18)4)20-9-7-6-8-19(20)23(24,25)26/h6-13,29H,5H2,1-4H3
InChIKeyUMPXVZILSIFUNE-UHFFFAOYSA-N
MW416.44 g/mol
LogP5.79
Rot. Bonds4

About N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide (PubChem CID 59807955) has the molecular formula C23H23F3N2O2 and a molecular weight of 416.44 g/mol. Its IUPAC name is N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(5-hydroxy-2-methylphenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
PubChem CID59807955
Molecular FormulaC23H23F3N2O2
Molecular Weight416.44 g/mol
Exact Mass416.17
IUPAC NameN-ethyl-N-(5-hydroxy-2-methylphenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
SMILESCCN(C(=O)c1cc(C)n(-c2ccccc2C(F)(F)F)c1C)c1cc(O)ccc1C
InChIInChI=1S/C23H23F3N2O2/c1-5-27(21-13-17(29)11-10-14(21)2)22(30)18-12-15(3)28(16(18)4)20-9-7-6-8-19(20)23(24,25)26/h6-13,29H,5H2,1-4H3
InChIKeyUMPXVZILSIFUNE-UHFFFAOYSA-N
XLogP5.79
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.44
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-ethyl-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 59808050
2-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide
CID 28739954
2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxylic acid;hydrochloride
CID 67252138
2-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-5-methylbenzamide
CID 107733112
2,5-dimethyl-N-(4-propylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 59808020
N-(2-benzylsulfanylethyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 11561076
N,2,5-trimethyl-N-(4-methylsulfonylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 59807590
N-(2,2-diphenylpropyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 59808024
2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-3-carboxamide
CID 59808189
4-[2-[[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbonyl]amino]ethyl]benzoic acid
CID 174531925
5-chloro-N-ethyl-2-fluoro-N-(5-hydroxy-2-methylphenyl)benzamide
CID 28516961
3-bromo-N-ethyl-2-fluoro-N-(5-hydroxy-2-methylphenyl)benzamide
CID 107953613

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The IUPAC name of N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide (CID 59807955) is N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The canonical SMILES for N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide is CCN(C(=O)c1cc(C)n(-c2ccccc2C(F)(F)F)c1C)c1cc(O)ccc1C.
What is the InChIKey of N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The InChIKey is UMPXVZILSIFUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O2/c1-5-27(21-13-17(29)11-10-14(21)2)22(30)18-12-15(3)28(16(18)4)20-9-7-6-8-19(20)23(24,25)26/h6-13,29H,5H2,1-4H3.
What are the key properties of N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide is sourced from PubChem (CID 59807955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).