2-(2-bromo-6-fluoroanilino)-N,N-dimethylpropanamide

C11H14BrFN2O — CID 107599321

IUPAC2-(2-bromo-6-fluoroanilino)-N,N-dimethylpropanamide
SMILESCC(Nc1c(F)cccc1Br)C(=O)N(C)C
InChIInChI=1S/C11H14BrFN2O/c1-7(11(16)15(2)3)14-10-8(12)5-4-6-9(10)13/h4-7,14H,1-3H3
InChIKeyAXDYLMZUWBXYQT-UHFFFAOYSA-N
MW289.15 g/mol
LogP2.48
Rot. Bonds3

About 2-(2-bromo-6-fluoroanilino)-N,N-dimethylpropanamide

2-(2-bromo-6-fluoroanilino)-N,N-dimethylpropanamide (PubChem CID 107599321) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is 2-(2-bromo-6-fluoroanilino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(2-bromo-6-fluoroanilino)-N,N-dimethylpropanamide
PubChem CID107599321
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC Name2-(2-bromo-6-fluoroanilino)-N,N-dimethylpropanamide
SMILESCC(Nc1c(F)cccc1Br)C(=O)N(C)C
InChIInChI=1S/C11H14BrFN2O/c1-7(11(16)15(2)3)14-10-8(12)5-4-6-9(10)13/h4-7,14H,1-3H3
InChIKeyAXDYLMZUWBXYQT-UHFFFAOYSA-N
XLogP2.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-difluoroanilino)-N,N-dimethylpropanamide
CID 43088763
tert-butyl 2-(2-bromo-6-fluoroanilino)propanoate
CID 107599303
2-bromo-6-fluoro-N-propan-2-ylaniline
CID 103747956
2-(2-bromo-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 107599310
2-(2-bromo-6-fluoroanilino)-N-(2-methylbutan-2-yl)propanamide
CID 107599421
methyl 2-(2-bromo-6-fluoroanilino)butanoate
CID 107598578
N-(2-bromo-6-fluorophenyl)acetamide
CID 59145529
2-[(2-bromo-6-fluorophenyl)carbamoylamino]propanoic acid
CID 107601919
2-(2-cyano-3-fluoroanilino)-N,N-dimethylpropanamide
CID 43580682
2-bromo-6-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 107598513
2-bromo-6-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 107597769
N,N-dimethyl-2-(3-methylanilino)propanamide
CID 43085843

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-fluoroanilino)-N,N-dimethylpropanamide?
The IUPAC name of 2-(2-bromo-6-fluoroanilino)-N,N-dimethylpropanamide (CID 107599321) is 2-(2-bromo-6-fluoroanilino)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(2-bromo-6-fluoroanilino)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(2-bromo-6-fluoroanilino)-N,N-dimethylpropanamide is CC(Nc1c(F)cccc1Br)C(=O)N(C)C.
What is the InChIKey of 2-(2-bromo-6-fluoroanilino)-N,N-dimethylpropanamide?
The InChIKey is AXDYLMZUWBXYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-7(11(16)15(2)3)14-10-8(12)5-4-6-9(10)13/h4-7,14H,1-3H3.
What are the key properties of 2-(2-bromo-6-fluoroanilino)-N,N-dimethylpropanamide?
2-(2-bromo-6-fluoroanilino)-N,N-dimethylpropanamide has a molecular weight of 289.15 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-fluoroanilino)-N,N-dimethylpropanamide is sourced from PubChem (CID 107599321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).