N-(2,4-dimethylphenyl)-2-(2-fluoro-4-methylanilino)acetamide

C17H19FN2O — CID 9100979

IUPACN-(2,4-dimethylphenyl)-2-(2-fluoro-4-methylanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(C)cc2F)c(C)c1
InChIInChI=1S/C17H19FN2O/c1-11-4-6-15(13(3)8-11)20-17(21)10-19-16-7-5-12(2)9-14(16)18/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyBTFMGFIXCSETLJ-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.80
Rot. Bonds4

About N-(2,4-dimethylphenyl)-2-(2-fluoro-4-methylanilino)acetamide

N-(2,4-dimethylphenyl)-2-(2-fluoro-4-methylanilino)acetamide (PubChem CID 9100979) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(2-fluoro-4-methylanilino)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(2-fluoro-4-methylanilino)acetamide
PubChem CID9100979
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-(2,4-dimethylphenyl)-2-(2-fluoro-4-methylanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(C)cc2F)c(C)c1
InChIInChI=1S/C17H19FN2O/c1-11-4-6-15(13(3)8-11)20-17(21)10-19-16-7-5-12(2)9-14(16)18/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyBTFMGFIXCSETLJ-UHFFFAOYSA-N
XLogP3.80
TPSA41.13 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 ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluoroanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 42125828
N-butan-2-yl-2-(2-fluoro-4-methylanilino)acetamide
CID 43089124
N-(cyanomethyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 28892313
N-(2,4-dimethylphenyl)-3-(2-fluoroanilino)propanamide
CID 109035088
2-(2-fluoro-4-methylanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
CID 9100984
2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
2-(2-fluoro-4-methylanilino)-N-pentan-2-ylacetamide
CID 60688483
2-chloro-N-(2-fluoro-4-methylphenyl)acetamide
CID 2497550
N-(dicyclopropylmethyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 29457118
2-(2-fluoro-4-methylanilino)-N-(4-methyl-3-nitrophenyl)acetamide
CID 26438397
N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 734052

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(2-fluoro-4-methylanilino)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(2-fluoro-4-methylanilino)acetamide (CID 9100979) is N-(2,4-dimethylphenyl)-2-(2-fluoro-4-methylanilino)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(2-fluoro-4-methylanilino)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(2-fluoro-4-methylanilino)acetamide is Cc1ccc(NC(=O)CNc2ccc(C)cc2F)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(2-fluoro-4-methylanilino)acetamide?
The InChIKey is BTFMGFIXCSETLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-11-4-6-15(13(3)8-11)20-17(21)10-19-16-7-5-12(2)9-14(16)18/h4-9,19H,10H2,1-3H3,(H,20,21).
What are the key properties of N-(2,4-dimethylphenyl)-2-(2-fluoro-4-methylanilino)acetamide?
N-(2,4-dimethylphenyl)-2-(2-fluoro-4-methylanilino)acetamide has a molecular weight of 286.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(2-fluoro-4-methylanilino)acetamide is sourced from PubChem (CID 9100979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).