N-[(2-fluorophenyl)methyl]-N-methyl-2-(2,4,6-trimethylphenoxy)acetamide

C19H22FNO2 — CID 112789802

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)N(C)Cc2ccccc2F)c(C)c1
InChIInChI=1S/C19H22FNO2/c1-13-9-14(2)19(15(3)10-13)23-12-18(22)21(4)11-16-7-5-6-8-17(16)20/h5-10H,11-12H2,1-4H3
InChIKeyJKEYONQZIRZVSV-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.79
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-N-methyl-2-(2,4,6-trimethylphenoxy)acetamide

N-[(2-fluorophenyl)methyl]-N-methyl-2-(2,4,6-trimethylphenoxy)acetamide (PubChem CID 112789802) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-2-(2,4,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-2-(2,4,6-trimethylphenoxy)acetamide
PubChem CID112789802
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)N(C)Cc2ccccc2F)c(C)c1
InChIInChI=1S/C19H22FNO2/c1-13-9-14(2)19(15(3)10-13)23-12-18(22)21(4)11-16-7-5-6-8-17(16)20/h5-10H,11-12H2,1-4H3
InChIKeyJKEYONQZIRZVSV-UHFFFAOYSA-N
XLogP3.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 8807880
2-(3-fluorophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 78768927
N-[(2-fluorophenyl)methyl]-N-methyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 100794508
2-(4-cyanophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 2527758
N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide
CID 78814812
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 55398107
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 55397394
N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 31138692
1-(2,6-difluorophenyl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 61218583
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 55399479
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 39277767
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] cyclopropanecarboxylate
CID 55401435

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-(2,4,6-trimethylphenoxy)acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-(2,4,6-trimethylphenoxy)acetamide (CID 112789802) is N-[(2-fluorophenyl)methyl]-N-methyl-2-(2,4,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-2-(2,4,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-2-(2,4,6-trimethylphenoxy)acetamide is Cc1cc(C)c(OCC(=O)N(C)Cc2ccccc2F)c(C)c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-2-(2,4,6-trimethylphenoxy)acetamide?
The InChIKey is JKEYONQZIRZVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-13-9-14(2)19(15(3)10-13)23-12-18(22)21(4)11-16-7-5-6-8-17(16)20/h5-10H,11-12H2,1-4H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-2-(2,4,6-trimethylphenoxy)acetamide?
N-[(2-fluorophenyl)methyl]-N-methyl-2-(2,4,6-trimethylphenoxy)acetamide has a molecular weight of 315.39 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-2-(2,4,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 112789802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).