2-anilino-N-(2,6-dimethylphenyl)-2-(2-fluorophenyl)acetamide

C22H21FN2O — CID 71729422

IUPAC2-anilino-N-(2,6-dimethylphenyl)-2-(2-fluorophenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)C(Nc1ccccc1)c1ccccc1F
InChIInChI=1S/C22H21FN2O/c1-15-9-8-10-16(2)20(15)25-22(26)21(18-13-6-7-14-19(18)23)24-17-11-4-3-5-12-17/h3-14,21,24H,1-2H3,(H,25,26)
InChIKeyABZRYUUKRNNENG-UHFFFAOYSA-N
MW348.42 g/mol
LogP5.23
Rot. Bonds5

About 2-anilino-N-(2,6-dimethylphenyl)-2-(2-fluorophenyl)acetamide

2-anilino-N-(2,6-dimethylphenyl)-2-(2-fluorophenyl)acetamide (PubChem CID 71729422) has the molecular formula C22H21FN2O and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-anilino-N-(2,6-dimethylphenyl)-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-anilino-N-(2,6-dimethylphenyl)-2-(2-fluorophenyl)acetamide
PubChem CID71729422
Molecular FormulaC22H21FN2O
Molecular Weight348.42 g/mol
Exact Mass348.16
IUPAC Name2-anilino-N-(2,6-dimethylphenyl)-2-(2-fluorophenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)C(Nc1ccccc1)c1ccccc1F
InChIInChI=1S/C22H21FN2O/c1-15-9-8-10-16(2)20(15)25-22(26)21(18-13-6-7-14-19(18)23)24-17-11-4-3-5-12-17/h3-14,21,24H,1-2H3,(H,25,26)
InChIKeyABZRYUUKRNNENG-UHFFFAOYSA-N
XLogP5.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.42
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-2-(2-fluorophenyl)acetyl chloride
CID 142788298
2-(4-fluoroanilino)-2-(2-fluorophenyl)acetic acid
CID 54889513
2-(3-fluoroanilino)-2-(2-fluorophenyl)acetic acid
CID 54890173
ethyl 2-anilino-2-(2,3-difluorophenyl)acetate
CID 63668266
1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991420
ethyl 2-(3-fluoroanilino)-2-(2-fluorophenyl)acetate
CID 60993455
ethyl 2-(4-fluoroanilino)-2-(2-fluorophenyl)acetate
CID 60992471
N-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 51606045
N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270
N-[2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]-2-fluorobenzamide
CID 3308582
methyl 2-anilino-2-(2,6-difluorophenyl)acetate
CID 60991084
(3R)-3-(3,4-difluoroanilino)-4-(2,6-dimethylanilino)-4-oxobutanoic acid
CID 8006852

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(2,6-dimethylphenyl)-2-(2-fluorophenyl)acetamide?
The IUPAC name of 2-anilino-N-(2,6-dimethylphenyl)-2-(2-fluorophenyl)acetamide (CID 71729422) is 2-anilino-N-(2,6-dimethylphenyl)-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-anilino-N-(2,6-dimethylphenyl)-2-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-anilino-N-(2,6-dimethylphenyl)-2-(2-fluorophenyl)acetamide is Cc1cccc(C)c1NC(=O)C(Nc1ccccc1)c1ccccc1F.
What is the InChIKey of 2-anilino-N-(2,6-dimethylphenyl)-2-(2-fluorophenyl)acetamide?
The InChIKey is ABZRYUUKRNNENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O/c1-15-9-8-10-16(2)20(15)25-22(26)21(18-13-6-7-14-19(18)23)24-17-11-4-3-5-12-17/h3-14,21,24H,1-2H3,(H,25,26).
What are the key properties of 2-anilino-N-(2,6-dimethylphenyl)-2-(2-fluorophenyl)acetamide?
2-anilino-N-(2,6-dimethylphenyl)-2-(2-fluorophenyl)acetamide has a molecular weight of 348.42 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(2,6-dimethylphenyl)-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 71729422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).