3-(4-bromo-2-fluoroanilino)-N,N-dimethylpropanamide

C11H14BrFN2O — CID 60961729

IUPAC3-(4-bromo-2-fluoroanilino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1ccc(Br)cc1F
InChIInChI=1S/C11H14BrFN2O/c1-15(2)11(16)5-6-14-10-4-3-8(12)7-9(10)13/h3-4,7,14H,5-6H2,1-2H3
InChIKeyQCACTCYQCUTVFT-UHFFFAOYSA-N
MW289.15 g/mol
LogP2.48
Rot. Bonds4

About 3-(4-bromo-2-fluoroanilino)-N,N-dimethylpropanamide

3-(4-bromo-2-fluoroanilino)-N,N-dimethylpropanamide (PubChem CID 60961729) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is 3-(4-bromo-2-fluoroanilino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(4-bromo-2-fluoroanilino)-N,N-dimethylpropanamide
PubChem CID60961729
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC Name3-(4-bromo-2-fluoroanilino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1ccc(Br)cc1F
InChIInChI=1S/C11H14BrFN2O/c1-15(2)11(16)5-6-14-10-4-3-8(12)7-9(10)13/h3-4,7,14H,5-6H2,1-2H3
InChIKeyQCACTCYQCUTVFT-UHFFFAOYSA-N
XLogP2.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

3-(2,4-dibromoanilino)-N,N-dimethylpropanamide
CID 61473010
3-(4-chloro-2-fluoroanilino)-N,N-dimethylpropanamide
CID 61469601
3-(4-bromo-2-chloroanilino)-N,N-dimethylpropanamide
CID 60960402
3-(5-bromo-2-methylanilino)-N,N-dimethylpropanamide
CID 60961459
3-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylpropanamide
CID 66110342
3-[1-(4-bromo-2-fluorophenyl)ethylamino]-N,N-dimethylpropanamide
CID 82962909
3-(4-bromo-2-fluorophenyl)-1,1-dimethylurea
CID 110460006
4-bromo-2-fluoro-N-(2-methylsulfonylethyl)aniline
CID 60916324
3-(2,4-difluoroanilino)-N-methyl-N-phenylpropanamide
CID 109034608
3-[[N-[3-(4-bromo-2-fluorophenyl)propyl]-N'-methylcarbamimidoyl]amino]-N,N-dimethylpropanamide
CID 111604248
1-N-(4-bromo-2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 130588833
2-(5-bromo-2-methylanilino)-N,N-dimethylacetamide
CID 43806025

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluoroanilino)-N,N-dimethylpropanamide?
The IUPAC name of 3-(4-bromo-2-fluoroanilino)-N,N-dimethylpropanamide (CID 60961729) is 3-(4-bromo-2-fluoroanilino)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(4-bromo-2-fluoroanilino)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(4-bromo-2-fluoroanilino)-N,N-dimethylpropanamide is CN(C)C(=O)CCNc1ccc(Br)cc1F.
What is the InChIKey of 3-(4-bromo-2-fluoroanilino)-N,N-dimethylpropanamide?
The InChIKey is QCACTCYQCUTVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-15(2)11(16)5-6-14-10-4-3-8(12)7-9(10)13/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of 3-(4-bromo-2-fluoroanilino)-N,N-dimethylpropanamide?
3-(4-bromo-2-fluoroanilino)-N,N-dimethylpropanamide has a molecular weight of 289.15 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluoroanilino)-N,N-dimethylpropanamide is sourced from PubChem (CID 60961729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).