2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide

C18H20FNO2 — CID 112777582

IUPAC2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
SMILESCc1ccc(OCC(=O)N(C)Cc2cccc(F)c2)c(C)c1
InChIInChI=1S/C18H20FNO2/c1-13-7-8-17(14(2)9-13)22-12-18(21)20(3)11-15-5-4-6-16(19)10-15/h4-10H,11-12H2,1-3H3
InChIKeyHCMXSSNYTRBGLR-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.48
Rot. Bonds5

About 2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide

2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 112777582) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
PubChem CID112777582
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
SMILESCc1ccc(OCC(=O)N(C)Cc2cccc(F)c2)c(C)c1
InChIInChI=1S/C18H20FNO2/c1-13-7-8-17(14(2)9-13)22-12-18(21)20(3)11-15-5-4-6-16(19)10-15/h4-10H,11-12H2,1-3H3
InChIKeyHCMXSSNYTRBGLR-UHFFFAOYSA-N
XLogP3.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide
CID 78765534
2-(2-aminophenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 28801945
N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 60636361
4-ethoxy-N-[(3-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 86937954
2-(2,4-dimethylphenoxy)-1-(3-fluorophenyl)ethanone
CID 43612481
N-[(3-chlorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide
CID 78770504
N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-propan-2-ylphenoxy)acetamide
CID 112778017
N-benzyl-2-(3-fluorophenoxy)-N-methylacetamide
CID 110755450
2-(2,4-dimethylphenoxy)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334574
2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 42989440
2-(2-chloro-5-methylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112775473
2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9440975

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide (CID 112777582) is 2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide is Cc1ccc(OCC(=O)N(C)Cc2cccc(F)c2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is HCMXSSNYTRBGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-13-7-8-17(14(2)9-13)22-12-18(21)20(3)11-15-5-4-6-16(19)10-15/h4-10H,11-12H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 301.36 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 112777582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).