2-(3-fluoroanilino)-2-(2,4,6-trimethylphenyl)acetamide

C17H19FN2O — CID 60996177

IUPAC2-(3-fluoroanilino)-2-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(C(Nc2cccc(F)c2)C(N)=O)c(C)c1
InChIInChI=1S/C17H19FN2O/c1-10-7-11(2)15(12(3)8-10)16(17(19)21)20-14-6-4-5-13(18)9-14/h4-9,16,20H,1-3H3,(H2,19,21)
InChIKeyVSNJBCSUZAUIOL-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.39
Rot. Bonds4

About 2-(3-fluoroanilino)-2-(2,4,6-trimethylphenyl)acetamide

2-(3-fluoroanilino)-2-(2,4,6-trimethylphenyl)acetamide (PubChem CID 60996177) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-2-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-fluoroanilino)-2-(2,4,6-trimethylphenyl)acetamide
PubChem CID60996177
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name2-(3-fluoroanilino)-2-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(C(Nc2cccc(F)c2)C(N)=O)c(C)c1
InChIInChI=1S/C17H19FN2O/c1-10-7-11(2)15(12(3)8-10)16(17(19)21)20-14-6-4-5-13(18)9-14/h4-9,16,20H,1-3H3,(H2,19,21)
InChIKeyVSNJBCSUZAUIOL-UHFFFAOYSA-N
XLogP3.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylanilino)-2-(2,4,6-trimethylphenyl)acetamide
CID 61005259
2-(2,5-difluorophenyl)-2-(3-methylanilino)acetamide
CID 61005085
2-(3-fluoroanilino)-2-(2-methoxyphenyl)acetamide
CID 60995341
2-anilino-2-(2,4,6-trimethylphenyl)acetic acid
CID 60992437
2-anilino-2-(4-fluoro-2-methylphenyl)acetamide
CID 62135663
2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)acetamide
CID 81437584
2-(2,3-difluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 79044745
2-(3-fluoro-5-methylanilino)-2-(3-hydroxyphenyl)acetamide
CID 79055466
2-(3-fluoroanilino)-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 60996040
2-(3-fluoroanilino)-3-hydroxypropanamide
CID 104711180
2-(3-fluoroanilino)-4,4-dimethylpentanamide
CID 55156390
2-(3-ethyl-1-methylpyrazol-4-yl)-2-(3-fluoroanilino)acetamide
CID 115990096

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-2-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(3-fluoroanilino)-2-(2,4,6-trimethylphenyl)acetamide (CID 60996177) is 2-(3-fluoroanilino)-2-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(3-fluoroanilino)-2-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(3-fluoroanilino)-2-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(C(Nc2cccc(F)c2)C(N)=O)c(C)c1.
What is the InChIKey of 2-(3-fluoroanilino)-2-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is VSNJBCSUZAUIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-10-7-11(2)15(12(3)8-10)16(17(19)21)20-14-6-4-5-13(18)9-14/h4-9,16,20H,1-3H3,(H2,19,21).
What are the key properties of 2-(3-fluoroanilino)-2-(2,4,6-trimethylphenyl)acetamide?
2-(3-fluoroanilino)-2-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 286.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-2-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 60996177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).