3-(2,6-difluoroanilino)-2-methylpropanamide

C10H12F2N2O — CID 43312157

IUPAC3-(2,6-difluoroanilino)-2-methylpropanamide
SMILESCC(CNc1c(F)cccc1F)C(N)=O
InChIInChI=1S/C10H12F2N2O/c1-6(10(13)15)5-14-9-7(11)3-2-4-8(9)12/h2-4,6,14H,5H2,1H3,(H2,13,15)
InChIKeyZIELMBYUTDZBMK-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.50
Rot. Bonds4

About 3-(2,6-difluoroanilino)-2-methylpropanamide

3-(2,6-difluoroanilino)-2-methylpropanamide (PubChem CID 43312157) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-(2,6-difluoroanilino)-2-methylpropanamide.

Molecular Properties

Compound Name3-(2,6-difluoroanilino)-2-methylpropanamide
PubChem CID43312157
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC Name3-(2,6-difluoroanilino)-2-methylpropanamide
SMILESCC(CNc1c(F)cccc1F)C(N)=O
InChIInChI=1S/C10H12F2N2O/c1-6(10(13)15)5-14-9-7(11)3-2-4-8(9)12/h2-4,6,14H,5H2,1H3,(H2,13,15)
InChIKeyZIELMBYUTDZBMK-UHFFFAOYSA-N
XLogP1.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-(2-methylpropyl)aniline
CID 28974507
2-methyl-3-(2,3,4-trifluoroanilino)propanamide
CID 43312047
3-fluoro-2-(2-methylpropylamino)benzoic acid
CID 62649634
methyl 3-(2,6-difluoroanilino)-2-phenylpropanoate
CID 64565029
3-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]-2-hydroxypropanamide
CID 106174311
2-(2,6-difluoroanilino)-N-methyl-N-propan-2-ylacetamide
CID 28879085
2-amino-N-(2,6-difluorophenyl)propanamide
CID 43087644
N-(2-amino-6-fluorophenyl)-2-methylbutanamide
CID 81314159
3-amino-N-(2,6-difluorophenyl)-3-methylbutanamide
CID 64684364
(2R)-1-(2-bromo-6-fluoroanilino)propan-2-ol
CID 107599492
methyl 3-(2,6-difluoroanilino)-2-hydroxy-2-methylpropanoate
CID 104643872
N-ethyl-2,6-difluoroaniline
CID 23270171

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoroanilino)-2-methylpropanamide?
The IUPAC name of 3-(2,6-difluoroanilino)-2-methylpropanamide (CID 43312157) is 3-(2,6-difluoroanilino)-2-methylpropanamide.
What is the SMILES notation for 3-(2,6-difluoroanilino)-2-methylpropanamide?
The canonical SMILES for 3-(2,6-difluoroanilino)-2-methylpropanamide is CC(CNc1c(F)cccc1F)C(N)=O.
What is the InChIKey of 3-(2,6-difluoroanilino)-2-methylpropanamide?
The InChIKey is ZIELMBYUTDZBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c1-6(10(13)15)5-14-9-7(11)3-2-4-8(9)12/h2-4,6,14H,5H2,1H3,(H2,13,15).
What are the key properties of 3-(2,6-difluoroanilino)-2-methylpropanamide?
3-(2,6-difluoroanilino)-2-methylpropanamide has a molecular weight of 214.22 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoroanilino)-2-methylpropanamide is sourced from PubChem (CID 43312157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).