2-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

C19H17F3N2O4 — CID 175994129

IUPAC2-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN1C(=O)CCC1(C(N)=O)c1cc(Oc2ccc(C(F)(F)F)cc2)ccc1O
InChIInChI=1S/C19H17F3N2O4/c1-24-16(26)8-9-18(24,17(23)27)14-10-13(6-7-15(14)25)28-12-4-2-11(3-5-12)19(20,21)22/h2-7,10,25H,8-9H2,1H3,(H2,23,27)
InChIKeyQLWBOXPQUVSCRW-UHFFFAOYSA-N
MW394.35 g/mol
LogP3.14
Rot. Bonds4

About 2-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

2-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 175994129) has the molecular formula C19H17F3N2O4 and a molecular weight of 394.35 g/mol. Its IUPAC name is 2-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID175994129
Molecular FormulaC19H17F3N2O4
Molecular Weight394.35 g/mol
Exact Mass394.11
IUPAC Name2-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN1C(=O)CCC1(C(N)=O)c1cc(Oc2ccc(C(F)(F)F)cc2)ccc1O
InChIInChI=1S/C19H17F3N2O4/c1-24-16(26)8-9-18(24,17(23)27)14-10-13(6-7-15(14)25)28-12-4-2-11(3-5-12)19(20,21)22/h2-7,10,25H,8-9H2,1H3,(H2,23,27)
InChIKeyQLWBOXPQUVSCRW-UHFFFAOYSA-N
XLogP3.14
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166074157
2-hydroxy-5-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 154115475
2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenoxy]phenol
CID 21466577
methyl 2-hydroxy-4-[4-(trifluoromethyl)phenoxy]benzoate
CID 14554238
(2S)-N-[2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073744
prop-1-en-2-yl 7-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 169116381
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
CID 12905997
2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide
CID 23353620
[2-oxo-2-[7-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]urea
CID 169116242
N-methyl-4-[4-(trifluoromethyl)phenoxy]benzamide
CID 146305988
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanethioic S-acid
CID 20555453
1-[2,6-dimethyl-4-[4-(trifluoromethyl)phenoxy]phenyl]ethanone
CID 67387269

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 2-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (CID 175994129) is 2-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 2-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 2-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is CN1C(=O)CCC1(C(N)=O)c1cc(Oc2ccc(C(F)(F)F)cc2)ccc1O.
What is the InChIKey of 2-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is QLWBOXPQUVSCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O4/c1-24-16(26)8-9-18(24,17(23)27)14-10-13(6-7-15(14)25)28-12-4-2-11(3-5-12)19(20,21)22/h2-7,10,25H,8-9H2,1H3,(H2,23,27).
What are the key properties of 2-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
2-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 394.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 175994129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).