2-(3-acetylanilino)-N-(3-fluoro-4-methylphenyl)acetamide

C17H17FN2O2 — CID 9099428

IUPAC2-(3-acetylanilino)-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCC(=O)c1cccc(NCC(=O)Nc2ccc(C)c(F)c2)c1
InChIInChI=1S/C17H17FN2O2/c1-11-6-7-15(9-16(11)18)20-17(22)10-19-14-5-3-4-13(8-14)12(2)21/h3-9,19H,10H2,1-2H3,(H,20,22)
InChIKeyADZJSGZQWYTHLP-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.39
Rot. Bonds5

About 2-(3-acetylanilino)-N-(3-fluoro-4-methylphenyl)acetamide

2-(3-acetylanilino)-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 9099428) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 2-(3-acetylanilino)-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetylanilino)-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID9099428
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name2-(3-acetylanilino)-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCC(=O)c1cccc(NCC(=O)Nc2ccc(C)c(F)c2)c1
InChIInChI=1S/C17H17FN2O2/c1-11-6-7-15(9-16(11)18)20-17(22)10-19-14-5-3-4-13(8-14)12(2)21/h3-9,19H,10H2,1-2H3,(H,20,22)
InChIKeyADZJSGZQWYTHLP-UHFFFAOYSA-N
XLogP3.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9084520
2-(3-acetamido-4-methylanilino)-N-(3-acetylphenyl)acetamide
CID 60536243
N-(3-acetylphenyl)-2-(4-chloroanilino)acetamide
CID 26506544
N-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 9100025
2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9101406
N-(3-fluoro-4-methylphenyl)-2-(3-methylsulfonylanilino)acetamide
CID 37229754
N-(3-fluoro-4-methylphenyl)-2-(3-nitroanilino)acetamide
CID 8933282
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-acetylbenzoate
CID 46860713
N-(3-acetylphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009580
3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52703555
methyl 4-[[2-(3-acetylanilino)-2-oxoethyl]amino]benzoate
CID 26506872
2-(3-acetylanilino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 9084580

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylanilino)-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-(3-acetylanilino)-N-(3-fluoro-4-methylphenyl)acetamide (CID 9099428) is 2-(3-acetylanilino)-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-acetylanilino)-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(3-acetylanilino)-N-(3-fluoro-4-methylphenyl)acetamide is CC(=O)c1cccc(NCC(=O)Nc2ccc(C)c(F)c2)c1.
What is the InChIKey of 2-(3-acetylanilino)-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is ADZJSGZQWYTHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-11-6-7-15(9-16(11)18)20-17(22)10-19-14-5-3-4-13(8-14)12(2)21/h3-9,19H,10H2,1-2H3,(H,20,22).
What are the key properties of 2-(3-acetylanilino)-N-(3-fluoro-4-methylphenyl)acetamide?
2-(3-acetylanilino)-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 300.33 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylanilino)-N-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 9099428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).