2-[[2-(3-acetylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide

C19H19FN2O4 — CID 2545792

IUPAC2-[[2-(3-acetylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCC(=O)c1cccc(OCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C19H19FN2O4/c1-13(23)14-4-3-5-17(10-14)26-12-19(25)22(2)11-18(24)21-16-8-6-15(20)7-9-16/h3-10H,11-12H2,1-2H3,(H,21,24)
InChIKeyHOLSXPLDERGDNO-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.50
Rot. Bonds7

About 2-[[2-(3-acetylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide

2-[[2-(3-acetylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 2545792) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is 2-[[2-(3-acetylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(3-acetylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
PubChem CID2545792
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name2-[[2-(3-acetylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCC(=O)c1cccc(OCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C19H19FN2O4/c1-13(23)14-4-3-5-17(10-14)26-12-19(25)22(2)11-18(24)21-16-8-6-15(20)7-9-16/h3-10H,11-12H2,1-2H3,(H,21,24)
InChIKeyHOLSXPLDERGDNO-UHFFFAOYSA-N
XLogP2.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(3-acetylphenoxy)acetamide
CID 2627260
2-(3-acetylphenoxy)-N-(4-methylphenyl)acetamide
CID 2616941
3-[2-(4-fluoroanilino)-2-oxoethoxy]benzoic acid
CID 900818
2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-(4-chlorophenyl)acetamide
CID 9417469
3-acetamido-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9441407
2-(3-acetylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2710573
[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273946
2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9440975
N-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]propanamide
CID 18870253
N-(3-acetylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 18094840
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 7719333
N-(3-methoxyphenyl)-2-[methyl-[2-(4-propanoylphenoxy)acetyl]amino]acetamide
CID 7719005

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-acetylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-(3-acetylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide (CID 2545792) is 2-[[2-(3-acetylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(3-acetylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(3-acetylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide is CC(=O)c1cccc(OCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 2-[[2-(3-acetylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is HOLSXPLDERGDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c1-13(23)14-4-3-5-17(10-14)26-12-19(25)22(2)11-18(24)21-16-8-6-15(20)7-9-16/h3-10H,11-12H2,1-2H3,(H,21,24).
What are the key properties of 2-[[2-(3-acetylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide?
2-[[2-(3-acetylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 358.37 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-acetylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 2545792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).