3-amino-N-(5-bromo-2-fluorophenyl)-N,3-dimethylbutanamide

C12H16BrFN2O — CID 115154940

IUPAC3-amino-N-(5-bromo-2-fluorophenyl)-N,3-dimethylbutanamide
SMILESCN(C(=O)CC(C)(C)N)c1cc(Br)ccc1F
InChIInChI=1S/C12H16BrFN2O/c1-12(2,15)7-11(17)16(3)10-6-8(13)4-5-9(10)14/h4-6H,7,15H2,1-3H3
InChIKeyNZIBXVSSGPNYRU-UHFFFAOYSA-N
MW303.18 g/mol
LogP2.68
Rot. Bonds3

About 3-amino-N-(5-bromo-2-fluorophenyl)-N,3-dimethylbutanamide

3-amino-N-(5-bromo-2-fluorophenyl)-N,3-dimethylbutanamide (PubChem CID 115154940) has the molecular formula C12H16BrFN2O and a molecular weight of 303.18 g/mol. Its IUPAC name is 3-amino-N-(5-bromo-2-fluorophenyl)-N,3-dimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-(5-bromo-2-fluorophenyl)-N,3-dimethylbutanamide
PubChem CID115154940
Molecular FormulaC12H16BrFN2O
Molecular Weight303.18 g/mol
Exact Mass302.04
IUPAC Name3-amino-N-(5-bromo-2-fluorophenyl)-N,3-dimethylbutanamide
SMILESCN(C(=O)CC(C)(C)N)c1cc(Br)ccc1F
InChIInChI=1S/C12H16BrFN2O/c1-12(2,15)7-11(17)16(3)10-6-8(13)4-5-9(10)14/h4-6H,7,15H2,1-3H3
InChIKeyNZIBXVSSGPNYRU-UHFFFAOYSA-N
XLogP2.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-fluorophenyl)-N-methylacetamide
CID 115191064
N-(5-bromo-2-fluorophenyl)-2-(ethylamino)-N-methylacetamide
CID 115157831
3-amino-1-(4-bromo-2-fluorophenyl)-3-methylbutan-2-one
CID 116560259
N-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)-N,3-dimethylbutanamide
CID 115187249
4-(5-bromo-2-fluoro-N-methylanilino)-3-methyl-4-oxobutanoic acid
CID 115164539
3-amino-N-(5-bromothiophen-2-yl)-N,3-dimethylbutanamide
CID 115154895
3-amino-N-(3-fluoro-4-methoxyphenyl)-N,3-dimethylbutanamide
CID 115154887
2-(5-bromo-2-fluorophenyl)-N,2-dimethylpropanehydrazide
CID 116845964
2-[(3-amino-3-methylbutanoyl)-methylamino]benzoic acid
CID 64677769
N-(5-bromo-2-fluorophenyl)-N-methyl-2-(methylaminomethyl)butanamide
CID 115188821
N-(5-bromo-2-fluorophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115182970
3-amino-N-[2-(4-bromophenyl)ethyl]-N,3-dimethylbutanamide
CID 115155083

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromo-2-fluorophenyl)-N,3-dimethylbutanamide?
The IUPAC name of 3-amino-N-(5-bromo-2-fluorophenyl)-N,3-dimethylbutanamide (CID 115154940) is 3-amino-N-(5-bromo-2-fluorophenyl)-N,3-dimethylbutanamide.
What is the SMILES notation for 3-amino-N-(5-bromo-2-fluorophenyl)-N,3-dimethylbutanamide?
The canonical SMILES for 3-amino-N-(5-bromo-2-fluorophenyl)-N,3-dimethylbutanamide is CN(C(=O)CC(C)(C)N)c1cc(Br)ccc1F.
What is the InChIKey of 3-amino-N-(5-bromo-2-fluorophenyl)-N,3-dimethylbutanamide?
The InChIKey is NZIBXVSSGPNYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c1-12(2,15)7-11(17)16(3)10-6-8(13)4-5-9(10)14/h4-6H,7,15H2,1-3H3.
What are the key properties of 3-amino-N-(5-bromo-2-fluorophenyl)-N,3-dimethylbutanamide?
3-amino-N-(5-bromo-2-fluorophenyl)-N,3-dimethylbutanamide has a molecular weight of 303.18 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-bromo-2-fluorophenyl)-N,3-dimethylbutanamide is sourced from PubChem (CID 115154940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).