2-(2-chloro-5-methylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide

C17H17ClFNO2 — CID 112775473

IUPAC2-(2-chloro-5-methylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
SMILESCc1ccc(Cl)c(OCC(=O)N(C)Cc2ccc(F)cc2)c1
InChIInChI=1S/C17H17ClFNO2/c1-12-3-8-15(18)16(9-12)22-11-17(21)20(2)10-13-4-6-14(19)7-5-13/h3-9H,10-11H2,1-2H3
InChIKeyGJLHQTILJMCKEH-UHFFFAOYSA-N
MW321.78 g/mol
LogP3.82
Rot. Bonds5

About 2-(2-chloro-5-methylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide

2-(2-chloro-5-methylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 112775473) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
PubChem CID112775473
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
SMILESCc1ccc(Cl)c(OCC(=O)N(C)Cc2ccc(F)cc2)c1
InChIInChI=1S/C17H17ClFNO2/c1-12-3-8-15(18)16(9-12)22-11-17(21)20(2)10-13-4-6-14(19)7-5-13/h3-9H,10-11H2,1-2H3
InChIKeyGJLHQTILJMCKEH-UHFFFAOYSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 112774399
2-(2-chloro-5-methylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 112775470
2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112778755
2-(2-chloro-4-fluorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 55313801
methyl 3-[[2-(2-chloro-5-methylphenoxy)acetyl]-methylamino]propanoate
CID 61032213
N-[(3-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide
CID 78765534
2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112792570
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371
2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 112777582
2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 78762115
N-[(4-fluorophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604549
N-[(4-cyanophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide
CID 39858381

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide (CID 112775473) is 2-(2-chloro-5-methylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide is Cc1ccc(Cl)c(OCC(=O)N(C)Cc2ccc(F)cc2)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is GJLHQTILJMCKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2/c1-12-3-8-15(18)16(9-12)22-11-17(21)20(2)10-13-4-6-14(19)7-5-13/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
2-(2-chloro-5-methylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 321.78 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 112775473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).