4-chloro-N-[2-(2,4-dimethylphenoxy)ethyl]-2-fluorobenzamide

C17H17ClFNO2 — CID 8531985

IUPAC4-chloro-N-[2-(2,4-dimethylphenoxy)ethyl]-2-fluorobenzamide
SMILESCc1ccc(OCCNC(=O)c2ccc(Cl)cc2F)c(C)c1
InChIInChI=1S/C17H17ClFNO2/c1-11-3-6-16(12(2)9-11)22-8-7-20-17(21)14-5-4-13(18)10-15(14)19/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)
InChIKeyRCAIAGFQFFGWKN-UHFFFAOYSA-N
MW321.78 g/mol
LogP3.90
Rot. Bonds5

About 4-chloro-N-[2-(2,4-dimethylphenoxy)ethyl]-2-fluorobenzamide

4-chloro-N-[2-(2,4-dimethylphenoxy)ethyl]-2-fluorobenzamide (PubChem CID 8531985) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is 4-chloro-N-[2-(2,4-dimethylphenoxy)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2,4-dimethylphenoxy)ethyl]-2-fluorobenzamide
PubChem CID8531985
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC Name4-chloro-N-[2-(2,4-dimethylphenoxy)ethyl]-2-fluorobenzamide
SMILESCc1ccc(OCCNC(=O)c2ccc(Cl)cc2F)c(C)c1
InChIInChI=1S/C17H17ClFNO2/c1-11-3-6-16(12(2)9-11)22-8-7-20-17(21)14-5-4-13(18)10-15(14)19/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)
InChIKeyRCAIAGFQFFGWKN-UHFFFAOYSA-N
XLogP3.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[2-(2,4-dimethylphenoxy)ethyl]-2-fluorobenzamide
CID 8531936
N-[2-(2,4-dimethylphenoxy)ethyl]-2-hydroxybenzamide
CID 31448668
1-(4-chlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973699
N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-5-methylbenzamide
CID 31336337
1-(2,4-dichlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973750
2-fluoro-N-[2-(2-methoxy-4-methylphenoxy)ethyl]benzamide
CID 113101791
2-(4-chlorophenoxy)-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
CID 9194409
[2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxoethyl] 2,4-difluorobenzoate
CID 9200279
5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 43009457
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-fluorophenoxy)acetamide
CID 9011621
4-chloro-N-[3-(4-chloro-2-methylphenoxy)propyl]-2-nitrobenzamide
CID 60578491
N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,6-dimethoxybenzamide
CID 113102587

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2,4-dimethylphenoxy)ethyl]-2-fluorobenzamide?
The IUPAC name of 4-chloro-N-[2-(2,4-dimethylphenoxy)ethyl]-2-fluorobenzamide (CID 8531985) is 4-chloro-N-[2-(2,4-dimethylphenoxy)ethyl]-2-fluorobenzamide.
What is the SMILES notation for 4-chloro-N-[2-(2,4-dimethylphenoxy)ethyl]-2-fluorobenzamide?
The canonical SMILES for 4-chloro-N-[2-(2,4-dimethylphenoxy)ethyl]-2-fluorobenzamide is Cc1ccc(OCCNC(=O)c2ccc(Cl)cc2F)c(C)c1.
What is the InChIKey of 4-chloro-N-[2-(2,4-dimethylphenoxy)ethyl]-2-fluorobenzamide?
The InChIKey is RCAIAGFQFFGWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2/c1-11-3-6-16(12(2)9-11)22-8-7-20-17(21)14-5-4-13(18)10-15(14)19/h3-6,9-10H,7-8H2,1-2H3,(H,20,21).
What are the key properties of 4-chloro-N-[2-(2,4-dimethylphenoxy)ethyl]-2-fluorobenzamide?
4-chloro-N-[2-(2,4-dimethylphenoxy)ethyl]-2-fluorobenzamide has a molecular weight of 321.78 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2,4-dimethylphenoxy)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 8531985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).