N-(5-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)acetamide

C17H17ClFNO2 — CID 8759054

IUPACN-(5-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2cc(Cl)ccc2F)c(C)c1
InChIInChI=1S/C17H17ClFNO2/c1-10-6-11(2)17(12(3)7-10)22-9-16(21)20-15-8-13(18)4-5-14(15)19/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyMJQAKSPNQXIQAX-UHFFFAOYSA-N
MW321.78 g/mol
LogP4.42
Rot. Bonds4

About N-(5-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)acetamide

N-(5-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)acetamide (PubChem CID 8759054) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)acetamide
PubChem CID8759054
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2cc(Cl)ccc2F)c(C)c1
InChIInChI=1S/C17H17ClFNO2/c1-10-6-11(2)17(12(3)7-10)22-9-16(21)20-15-8-13(18)4-5-14(15)19/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyMJQAKSPNQXIQAX-UHFFFAOYSA-N
XLogP4.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 55369187
2-(2-bromo-4,6-dimethylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 5169100
N-(5-chloro-2-fluorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 2554397
2-(2-bromo-4,6-dimethylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 23909609
N-(2,5-difluorophenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 2711364
2-(2-chloro-4,6-dimethylphenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 4512628
N-(5-chloro-2-fluorophenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 8759085
methyl 2,4-difluoro-5-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]benzoate
CID 24659279
N-(5-chloro-2-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178170
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 31527310
N-(5-chloro-2-hydroxyphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 838186
2-(4-chloro-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7642269

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)acetamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)acetamide (CID 8759054) is N-(5-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)acetamide is Cc1cc(C)c(OCC(=O)Nc2cc(Cl)ccc2F)c(C)c1.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)acetamide?
The InChIKey is MJQAKSPNQXIQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2/c1-10-6-11(2)17(12(3)7-10)22-9-16(21)20-15-8-13(18)4-5-14(15)19/h4-8H,9H2,1-3H3,(H,20,21).
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)acetamide?
N-(5-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)acetamide has a molecular weight of 321.78 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 8759054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).