3-[[3-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]pyrrolidin-2-one

C20H21F3N2O2 — CID 11440334

IUPAC3-[[3-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]pyrrolidin-2-one
SMILESCc1cc(CNC2CCNC2=O)ccc1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O2/c1-13-10-15(11-25-17-8-9-24-19(17)26)4-7-18(13)27-12-14-2-5-16(6-3-14)20(21,22)23/h2-7,10,17,25H,8-9,11-12H2,1H3,(H,24,26)
InChIKeyZSYVLLIIBUPMKX-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.57
Rot. Bonds6

About 3-[[3-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]pyrrolidin-2-one

3-[[3-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]pyrrolidin-2-one (PubChem CID 11440334) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 3-[[3-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[[3-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]pyrrolidin-2-one
PubChem CID11440334
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name3-[[3-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]pyrrolidin-2-one
SMILESCc1cc(CNC2CCNC2=O)ccc1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O2/c1-13-10-15(11-25-17-8-9-24-19(17)26)4-7-18(13)27-12-14-2-5-16(6-3-14)20(21,22)23/h2-7,10,17,25H,8-9,11-12H2,1H3,(H,24,26)
InChIKeyZSYVLLIIBUPMKX-UHFFFAOYSA-N
XLogP3.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

3-[[2-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]pyrrolidin-2-one
CID 11383975
(3R)-3-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]azepan-2-one
CID 1059014
3-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]azepan-2-one
CID 3938018
3-[(3,4-dimethylphenyl)methylamino]piperidin-2-one
CID 55033629
ethane;1-[(4-fluorophenyl)methoxy]-2-methyl-4-(trifluoromethyl)benzene
CID 143034150
3-[(3-bromo-4-pentoxyphenyl)methylamino]pyrrolidin-2-one
CID 11279699
3-[[3-(trifluoromethyl)phenyl]methylamino]azepan-2-one
CID 43199156
3-[(3-fluoro-4-methoxyphenyl)methylamino]azepan-2-one
CID 60763102
3-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylamino]pyrrolidin-2-one
CID 67000106
3-[(3-ethoxy-4-hydroxyphenyl)methylamino]piperidin-2-one
CID 62092103
3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]piperidin-2-one
CID 62092846
3-[(3-methylfuran-2-yl)methylamino]pyrrolidin-2-one
CID 130637972

Frequently Asked Questions

What is the IUPAC name of 3-[[3-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]pyrrolidin-2-one?
The IUPAC name of 3-[[3-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]pyrrolidin-2-one (CID 11440334) is 3-[[3-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]pyrrolidin-2-one.
What is the SMILES notation for 3-[[3-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]pyrrolidin-2-one?
The canonical SMILES for 3-[[3-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]pyrrolidin-2-one is Cc1cc(CNC2CCNC2=O)ccc1OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[[3-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]pyrrolidin-2-one?
The InChIKey is ZSYVLLIIBUPMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-13-10-15(11-25-17-8-9-24-19(17)26)4-7-18(13)27-12-14-2-5-16(6-3-14)20(21,22)23/h2-7,10,17,25H,8-9,11-12H2,1H3,(H,24,26).
What are the key properties of 3-[[3-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]pyrrolidin-2-one?
3-[[3-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]pyrrolidin-2-one has a molecular weight of 378.39 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]pyrrolidin-2-one is sourced from PubChem (CID 11440334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).