N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-fluorobenzamide

C17H17FN2O4 — CID 26694803

IUPACN-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-fluorobenzamide
SMILESCOc1ccc(NC(=O)CNC(=O)c2ccccc2F)cc1OC
InChIInChI=1S/C17H17FN2O4/c1-23-14-8-7-11(9-15(14)24-2)20-16(21)10-19-17(22)12-5-3-4-6-13(12)18/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyXUGDMCAIHDDNCU-UHFFFAOYSA-N
MW332.33 g/mol
LogP2.21
Rot. Bonds6

About N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-fluorobenzamide

N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-fluorobenzamide (PubChem CID 26694803) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-fluorobenzamide
PubChem CID26694803
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC NameN-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-fluorobenzamide
SMILESCOc1ccc(NC(=O)CNC(=O)c2ccccc2F)cc1OC
InChIInChI=1S/C17H17FN2O4/c1-23-14-8-7-11(9-15(14)24-2)20-16(21)10-19-17(22)12-5-3-4-6-13(12)18/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyXUGDMCAIHDDNCU-UHFFFAOYSA-N
XLogP2.21
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 3424482
2-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide
CID 24642606
5-acetamido-N-[2-[3-[[2-[3-[[2-(3-carbamoyl-4-methoxyanilino)-2-oxoethyl]carbamoyl]-4-methoxyanilino]-2-oxoethyl]carbamoyl]-4-methoxyanilino]-2-oxoethyl]-2-methoxybenzamide
CID 131994831
2-fluoro-N-[2-oxo-2-(4-phenoxyanilino)ethyl]benzamide
CID 9413646
2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 17406382
N-benzyl-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzamide
CID 2532138
2-fluoro-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide
CID 9071274
2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60717185
N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009628
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide
CID 17395084
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N-[1-(4-ethoxy-3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 42916532

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-fluorobenzamide (CID 26694803) is N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-fluorobenzamide is COc1ccc(NC(=O)CNC(=O)c2ccccc2F)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is XUGDMCAIHDDNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4/c1-23-14-8-7-11(9-15(14)24-2)20-16(21)10-19-17(22)12-5-3-4-6-13(12)18/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-fluorobenzamide?
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 332.33 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 26694803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).