2-(2,6-difluoroanilino)-N-[(4-methylphenyl)methyl]acetamide

C16H16F2N2O — CID 108997244

IUPAC2-(2,6-difluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CNc2c(F)cccc2F)cc1
InChIInChI=1S/C16H16F2N2O/c1-11-5-7-12(8-6-11)9-19-15(21)10-20-16-13(17)3-2-4-14(16)18/h2-8,20H,9-10H2,1H3,(H,19,21)
InChIKeyIWFUVTOMWYIWBE-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.00
Rot. Bonds5

About 2-(2,6-difluoroanilino)-N-[(4-methylphenyl)methyl]acetamide

2-(2,6-difluoroanilino)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 108997244) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-(2,6-difluoroanilino)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,6-difluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID108997244
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name2-(2,6-difluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CNc2c(F)cccc2F)cc1
InChIInChI=1S/C16H16F2N2O/c1-11-5-7-12(8-6-11)9-19-15(21)10-20-16-13(17)3-2-4-14(16)18/h2-8,20H,9-10H2,1H3,(H,19,21)
InChIKeyIWFUVTOMWYIWBE-UHFFFAOYSA-N
XLogP3.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 113002290
2-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997159
2-(3-chloro-2-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 33164412
N-[(4-methylphenyl)methyl]-2-(2-methyl-6-propan-2-ylanilino)acetamide
CID 108997202
2-chloro-6-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992254
2,6-difluoro-N-[(4-methylphenyl)methyl]benzamide
CID 8781288
N-[(2-fluorophenyl)methyl]-2-[(4-methylphenyl)methylamino]acetamide
CID 108997023
3-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid
CID 62648664
2-(2-bromoanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 33161602
N-[(4-chlorophenyl)methyl]-3-(2,6-difluoroanilino)propanamide
CID 109021782
N-(2,6-diethylphenyl)-2-(2,6-difluoroanilino)acetamide
CID 109008077
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-methylbenzamide
CID 46745022

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoroanilino)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(2,6-difluoroanilino)-N-[(4-methylphenyl)methyl]acetamide (CID 108997244) is 2-(2,6-difluoroanilino)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,6-difluoroanilino)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,6-difluoroanilino)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CNc2c(F)cccc2F)cc1.
What is the InChIKey of 2-(2,6-difluoroanilino)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is IWFUVTOMWYIWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-11-5-7-12(8-6-11)9-19-15(21)10-20-16-13(17)3-2-4-14(16)18/h2-8,20H,9-10H2,1H3,(H,19,21).
What are the key properties of 2-(2,6-difluoroanilino)-N-[(4-methylphenyl)methyl]acetamide?
2-(2,6-difluoroanilino)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 290.31 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoroanilino)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 108997244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).