2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide

C19H21FN2O3 — CID 9440975

IUPAC2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCc1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C19H21FN2O3/c1-13-4-9-17(14(2)10-13)25-12-19(24)22(3)11-18(23)21-16-7-5-15(20)6-8-16/h4-10H,11-12H2,1-3H3,(H,21,23)
InChIKeyIJLUJUNYYPUPHR-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.92
Rot. Bonds6

About 2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide

2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 9440975) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
PubChem CID9440975
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCc1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C19H21FN2O3/c1-13-4-9-17(14(2)10-13)25-12-19(24)22(3)11-18(23)21-16-7-5-15(20)6-8-16/h4-10H,11-12H2,1-3H3,(H,21,23)
InChIKeyIJLUJUNYYPUPHR-UHFFFAOYSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814837
2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9438434
2-[[2-(4-chloro-2-methylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 8501359
N-(4-methylphenyl)-2-[methyl-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]amino]acetamide
CID 7467659
[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 7749435
2-[[2-(2-fluorophenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 7478596
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide
CID 31185812
2-[[2-(5-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 7612189
2-[[2-(3-acetylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 2545792
2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-phenylacetamide
CID 55637611
2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8563671
2-[[2-(2,5-dimethylphenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 7551228

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide (CID 9440975) is 2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide is Cc1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)c(C)c1.
What is the InChIKey of 2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is IJLUJUNYYPUPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-13-4-9-17(14(2)10-13)25-12-19(24)22(3)11-18(23)21-16-7-5-15(20)6-8-16/h4-10H,11-12H2,1-3H3,(H,21,23).
What are the key properties of 2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide?
2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 344.39 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 9440975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).