N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-fluorophenoxy)acetamide

C18H20FNO2 — CID 94843755

IUPACN-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-fluorophenoxy)acetamide
SMILESCc1ccc([C@@H](C)NC(=O)COc2ccccc2F)c(C)c1
InChIInChI=1S/C18H20FNO2/c1-12-8-9-15(13(2)10-12)14(3)20-18(21)11-22-17-7-5-4-6-16(17)19/h4-10,14H,11H2,1-3H3,(H,20,21)/t14-/m1/s1
InChIKeyHQJSBAFYGKSJHP-CQSZACIVSA-N
MW301.36 g/mol
LogP3.70
Rot. Bonds5

About N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-fluorophenoxy)acetamide

N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-fluorophenoxy)acetamide (PubChem CID 94843755) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-fluorophenoxy)acetamide
PubChem CID94843755
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC NameN-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-fluorophenoxy)acetamide
SMILESCc1ccc([C@@H](C)NC(=O)COc2ccccc2F)c(C)c1
InChIInChI=1S/C18H20FNO2/c1-12-8-9-15(13(2)10-12)14(3)20-18(21)11-22-17-7-5-4-6-16(17)19/h4-10,14H,11H2,1-3H3,(H,20,21)/t14-/m1/s1
InChIKeyHQJSBAFYGKSJHP-CQSZACIVSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327655
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 92675059
2-(2-fluorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7719194
N-[1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 3325652
N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 8795213
2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 43876879
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-fluorophenoxy)acetohydrazide
CID 7943429
2-(2-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 16546160
N-[1-(2-chlorophenyl)ethyl]-2-(2,4-dimethylphenoxy)acetamide
CID 24543941
2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 17327451
2-(2-bromo-4-ethylphenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 43875399
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 9231979

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-fluorophenoxy)acetamide (CID 94843755) is N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-fluorophenoxy)acetamide is Cc1ccc([C@@H](C)NC(=O)COc2ccccc2F)c(C)c1.
What is the InChIKey of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is HQJSBAFYGKSJHP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-12-8-9-15(13(2)10-12)14(3)20-18(21)11-22-17-7-5-4-6-16(17)19/h4-10,14H,11H2,1-3H3,(H,20,21)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-fluorophenoxy)acetamide?
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 301.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 94843755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).