2-(4-acetyl-2-methoxyphenoxy)-N-(3,4-difluorophenyl)acetamide

C17H15F2NO4 — CID 7771685

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-(3,4-difluorophenyl)acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H15F2NO4/c1-10(21)11-3-6-15(16(7-11)23-2)24-9-17(22)20-12-4-5-13(18)14(19)8-12/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyDWULIXAPKVCAQX-UHFFFAOYSA-N
MW335.31 g/mol
LogP3.19
Rot. Bonds6

About 2-(4-acetyl-2-methoxyphenoxy)-N-(3,4-difluorophenyl)acetamide

2-(4-acetyl-2-methoxyphenoxy)-N-(3,4-difluorophenyl)acetamide (PubChem CID 7771685) has the molecular formula C17H15F2NO4 and a molecular weight of 335.31 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-(3,4-difluorophenyl)acetamide
PubChem CID7771685
Molecular FormulaC17H15F2NO4
Molecular Weight335.31 g/mol
Exact Mass335.10
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-(3,4-difluorophenyl)acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H15F2NO4/c1-10(21)11-3-6-15(16(7-11)23-2)24-9-17(22)20-12-4-5-13(18)14(19)8-12/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyDWULIXAPKVCAQX-UHFFFAOYSA-N
XLogP3.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 8735445
[2-(4-chloroanilino)-2-oxoethyl] 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 25439557
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(3,4-difluorophenyl)acetamide
CID 7568900
2-(4-acetyl-2-methoxyphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 8752748
N'-[2-(4-acetyl-2-methoxyphenoxy)acetyl]-4-fluorobenzohydrazide
CID 7946052
[2-(4-acetylanilino)-2-oxoethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 3279488
N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009628
N-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 8744099
[2-(3,4-difluoroanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate
CID 27110416
N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide
CID 126246243
4-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 45397187
2-(4-acetamidophenoxy)-N-(3,4-difluorophenyl)acetamide
CID 7203483

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-(3,4-difluorophenyl)acetamide (CID 7771685) is 2-(4-acetyl-2-methoxyphenoxy)-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-(3,4-difluorophenyl)acetamide is COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-(3,4-difluorophenyl)acetamide?
The InChIKey is DWULIXAPKVCAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO4/c1-10(21)11-3-6-15(16(7-11)23-2)24-9-17(22)20-12-4-5-13(18)14(19)8-12/h3-8H,9H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-(3,4-difluorophenyl)acetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-(3,4-difluorophenyl)acetamide has a molecular weight of 335.31 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 7771685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).