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

C20H17F3N2O3 — CID 90336602

IUPAC4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)NCc2cccc(-c3cccc(C(F)(F)F)c3)c2)=C(O)C1=O
InChIInChI=1S/C20H17F3N2O3/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)20(21,22)23/h2-9,26H,10-11H2,1H3,(H,24,27)
InChIKeyPHOBDEMZXODYKZ-UHFFFAOYSA-N
MW390.36 g/mol
LogP3.27
Rot. Bonds4

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

4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide (PubChem CID 90336602) has the molecular formula C20H17F3N2O3 and a molecular weight of 390.36 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide
PubChem CID90336602
Molecular FormulaC20H17F3N2O3
Molecular Weight390.36 g/mol
Exact Mass390.12
IUPAC Name4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)NCc2cccc(-c3cccc(C(F)(F)F)c3)c2)=C(O)C1=O
InChIInChI=1S/C20H17F3N2O3/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)20(21,22)23/h2-9,26H,10-11H2,1H3,(H,24,27)
InChIKeyPHOBDEMZXODYKZ-UHFFFAOYSA-N
XLogP3.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide
CID 90330697
N-[(3-bromophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 89489409
N-[[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 71548656
4-hydroxy-1-methyl-3-[1-[(3-phenylphenyl)methylamino]ethenyl]-2H-pyrrol-5-one
CID 122447898
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 79196060
1,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 35763919
4-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
CID 43642800
N-[[4-(2-chlorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330559
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 100712114
(2S)-N-[[3-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]phenyl]methyl]-1-methylpyrrolidine-2-carboxamide
CID 129157377

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide?
The IUPAC name of 4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide (CID 90336602) is 4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide is CN1CC(C(=O)NCc2cccc(-c3cccc(C(F)(F)F)c3)c2)=C(O)C1=O.
What is the InChIKey of 4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide?
The InChIKey is PHOBDEMZXODYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O3/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)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-(trifluoromethyl)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide?
4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide has a molecular weight of 390.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 90336602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).