2,2,2-trifluoro-N-[[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]acetamide

C20H21F3N2O3 — CID 108934099

IUPAC2,2,2-trifluoro-N-[[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2ccccc2CNC(=O)C(F)(F)F)c1C
InChIInChI=1S/C20H21F3N2O3/c1-12-8-9-13(2)18(14(12)3)28-11-17(26)25-16-7-5-4-6-15(16)10-24-19(27)20(21,22)23/h4-9H,10-11H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyJDEPPOPAMXEJTP-UHFFFAOYSA-N
MW394.39 g/mol
LogP3.81
Rot. Bonds6

About 2,2,2-trifluoro-N-[[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]acetamide

2,2,2-trifluoro-N-[[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]acetamide (PubChem CID 108934099) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]acetamide
PubChem CID108934099
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC Name2,2,2-trifluoro-N-[[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2ccccc2CNC(=O)C(F)(F)F)c1C
InChIInChI=1S/C20H21F3N2O3/c1-12-8-9-13(2)18(14(12)3)28-11-17(26)25-16-7-5-4-6-15(16)10-24-19(27)20(21,22)23/h4-9H,10-11H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyJDEPPOPAMXEJTP-UHFFFAOYSA-N
XLogP3.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-[[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]acetamide with MolForge

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Related Compounds

tert-butyl N-[2-oxo-2-[[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methylamino]ethyl]carbamate
CID 108918008
tert-butyl N-[2-oxo-2-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]carbamate
CID 108917889
N-(2-chlorophenyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 731196
tert-butyl N-[3-oxo-3-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]propyl]carbamate
CID 108920770
4-phenoxy-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
CID 108934115
2-cyano-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]acetamide
CID 108923450
N-[2-(4-methylanilino)phenyl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108767365
N-[2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 108934086
tert-butyl N-[3-[[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108920877
3-(2-fluorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
CID 108934271
2-(2,4,6-trichloro-3,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 22778548
N-[2-(2-methoxyphenyl)ethyl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 112977943

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]acetamide (CID 108934099) is 2,2,2-trifluoro-N-[[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]acetamide is Cc1ccc(C)c(OCC(=O)Nc2ccccc2CNC(=O)C(F)(F)F)c1C.
What is the InChIKey of 2,2,2-trifluoro-N-[[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]acetamide?
The InChIKey is JDEPPOPAMXEJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c1-12-8-9-13(2)18(14(12)3)28-11-17(26)25-16-7-5-4-6-15(16)10-24-19(27)20(21,22)23/h4-9H,10-11H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of 2,2,2-trifluoro-N-[[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]acetamide?
2,2,2-trifluoro-N-[[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]acetamide has a molecular weight of 394.39 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]acetamide is sourced from PubChem (CID 108934099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).