2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide

C12H16F2N2O — CID 28584200

IUPAC2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNc1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2N2O/c1-8(2)6-16-12(17)7-15-11-4-9(13)3-10(14)5-11/h3-5,8,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyLWQMBZCEXJIPOC-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.15
Rot. Bonds5

About 2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide

2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide (PubChem CID 28584200) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide
PubChem CID28584200
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNc1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2N2O/c1-8(2)6-16-12(17)7-15-11-4-9(13)3-10(14)5-11/h3-5,8,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyLWQMBZCEXJIPOC-UHFFFAOYSA-N
XLogP2.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-5-fluoroanilino)-N-(2-methylpropyl)acetamide
CID 107365239
2-anilino-N-(2-methylpropyl)acetamide
CID 28565172
3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride
CID 47002202
2-(4-methylanilino)-N-(2-methylpropyl)acetamide
CID 28585751
2-(3,5-difluoroanilino)-N-(propan-2-ylcarbamoyl)acetamide
CID 35823872
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methylpropyl)acetamide
CID 107611469
2-(4-tert-butylanilino)-N-(2-methylpropyl)acetamide
CID 28571980
2-(4-fluoro-2-iodoanilino)-N-(2-methylpropyl)acetamide
CID 79769575
1-(3,5-difluoroanilino)propan-2-ol
CID 60886197
2-(3,5-difluoroanilino)-N-(3-methoxypropyl)acetamide
CID 60702097
2-(4-fluoroanilino)-N-(2-methylpropylcarbamoyl)acetamide
CID 26506069
N-(2-methylpropyl)-2-(4-phenylanilino)acetamide
CID 60647076

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide (CID 28584200) is 2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNc1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide?
The InChIKey is LWQMBZCEXJIPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-8(2)6-16-12(17)7-15-11-4-9(13)3-10(14)5-11/h3-5,8,15H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide?
2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide has a molecular weight of 242.27 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 28584200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).