N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide

C20H22F3NO3 — CID 68701338

IUPACN-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
SMILESCC(C)(C)Oc1ccc(CNC(=O)Cc2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C20H22F3NO3/c1-19(2,3)26-16-9-7-14(8-10-16)13-24-18(25)12-15-5-4-6-17(11-15)27-20(21,22)23/h4-11H,12-13H2,1-3H3,(H,24,25)
InChIKeyQJUYBDKDFSLOEH-UHFFFAOYSA-N
MW381.39 g/mol
LogP4.62
Rot. Bonds6

About N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide

N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide (PubChem CID 68701338) has the molecular formula C20H22F3NO3 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
PubChem CID68701338
Molecular FormulaC20H22F3NO3
Molecular Weight381.39 g/mol
Exact Mass381.16
IUPAC NameN-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
SMILESCC(C)(C)Oc1ccc(CNC(=O)Cc2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C20H22F3NO3/c1-19(2,3)26-16-9-7-14(8-10-16)13-24-18(25)12-15-5-4-6-17(11-15)27-20(21,22)23/h4-11H,12-13H2,1-3H3,(H,24,25)
InChIKeyQJUYBDKDFSLOEH-UHFFFAOYSA-N
XLogP4.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
2-(3,4-dimethylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24646594
2-(1-methylpyrrol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
CID 29182663
2-[3-(trifluoromethoxy)phenyl]acetohydrazide
CID 142471729
N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide
CID 118576354
tert-butyl N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate
CID 63787638
1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 71250825
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745
1-[3-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one
CID 58044331
4-amino-N-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide
CID 110460827
4-(3-methylphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 24584159
2-(2-methoxyethoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 103606582

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide (CID 68701338) is N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide is CC(C)(C)Oc1ccc(CNC(=O)Cc2cccc(OC(F)(F)F)c2)cc1.
What is the InChIKey of N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is QJUYBDKDFSLOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO3/c1-19(2,3)26-16-9-7-14(8-10-16)13-24-18(25)12-15-5-4-6-17(11-15)27-20(21,22)23/h4-11H,12-13H2,1-3H3,(H,24,25).
What are the key properties of N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 381.39 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 68701338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).