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

C20H17F3N2O4 — CID 90330697

IUPAC4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)NCc2cccc(-c3cccc(OC(F)(F)F)c3)c2)=C(O)C1=O
InChIInChI=1S/C20H17F3N2O4/c1-25-11-16(17(26)19(25)28)18(27)24-10-12-4-2-5-13(8-12)14-6-3-7-15(9-14)29-20(21,22)23/h2-9,26H,10-11H2,1H3,(H,24,27)
InChIKeyVWUYCPIRYMEBJH-UHFFFAOYSA-N
MW406.36 g/mol
LogP3.15
Rot. Bonds5

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

4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide (PubChem CID 90330697) has the molecular formula C20H17F3N2O4 and a molecular weight of 406.36 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide
PubChem CID90330697
Molecular FormulaC20H17F3N2O4
Molecular Weight406.36 g/mol
Exact Mass406.11
IUPAC Name4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)NCc2cccc(-c3cccc(OC(F)(F)F)c3)c2)=C(O)C1=O
InChIInChI=1S/C20H17F3N2O4/c1-25-11-16(17(26)19(25)28)18(27)24-10-12-4-2-5-13(8-12)14-6-3-7-15(9-14)29-20(21,22)23/h2-9,26H,10-11H2,1H3,(H,24,27)
InChIKeyVWUYCPIRYMEBJH-UHFFFAOYSA-N
XLogP3.15
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide
CID 90336602
N-[[4-(3-fluorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330583
4-hydroxy-1-methyl-3-[1-[(3-phenylphenyl)methylamino]ethenyl]-2H-pyrrol-5-one
CID 122447898
N-[[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 71548656
N-[[4-(2-chlorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330559
2-(1-methylpyrrol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
CID 29182663
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745
1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 71250825
4-hydroxy-1-methyl-5-oxo-N-[(1R)-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl]-2H-pyrrole-3-carboxamide
CID 90330464
4-hydroxy-1-methyl-5-oxo-N-[[5-phenyl-1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methyl]-2H-pyrrole-3-carboxamide
CID 122678357
1-(2,2-dimethylpropyl)-3-[3-(trifluoromethoxy)phenyl]benzene
CID 122487160
6-oxo-3-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyridazine-5-carboxamide
CID 59017983

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide?
The IUPAC name of 4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide (CID 90330697) is 4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide is CN1CC(C(=O)NCc2cccc(-c3cccc(OC(F)(F)F)c3)c2)=C(O)C1=O.
What is the InChIKey of 4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide?
The InChIKey is VWUYCPIRYMEBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O4/c1-25-11-16(17(26)19(25)28)18(27)24-10-12-4-2-5-13(8-12)14-6-3-7-15(9-14)29-20(21,22)23/h2-9,26H,10-11H2,1H3,(H,24,27).
What are the key properties of 4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide?
4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide has a molecular weight of 406.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 90330697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).