2-amino-N-(2-bromo-6-fluorophenyl)butanamide

C10H12BrFN2O — CID 107599827

IUPAC2-amino-N-(2-bromo-6-fluorophenyl)butanamide
SMILESCCC(N)C(=O)Nc1c(F)cccc1Br
InChIInChI=1S/C10H12BrFN2O/c1-2-8(13)10(15)14-9-6(11)4-3-5-7(9)12/h3-5,8H,2,13H2,1H3,(H,14,15)
InChIKeyJSVQVMDXGGTGPY-UHFFFAOYSA-N
MW275.12 g/mol
LogP2.26
Rot. Bonds3

About 2-amino-N-(2-bromo-6-fluorophenyl)butanamide

2-amino-N-(2-bromo-6-fluorophenyl)butanamide (PubChem CID 107599827) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-6-fluorophenyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-6-fluorophenyl)butanamide
PubChem CID107599827
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC Name2-amino-N-(2-bromo-6-fluorophenyl)butanamide
SMILESCCC(N)C(=O)Nc1c(F)cccc1Br
InChIInChI=1S/C10H12BrFN2O/c1-2-8(13)10(15)14-9-6(11)4-3-5-7(9)12/h3-5,8H,2,13H2,1H3,(H,14,15)
InChIKeyJSVQVMDXGGTGPY-UHFFFAOYSA-N
XLogP2.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfonylbutanamide
CID 107600024
(2R)-2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfanylbutanamide
CID 107599885
N-(2-bromo-6-fluorophenyl)-2-carbamothioylpentanamide
CID 107600452
N-(2-bromo-6-fluorophenyl)acetamide
CID 59145529
2-amino-N-(2-bromophenyl)butanamide
CID 43649425
2-amino-N-(2,6-difluorophenyl)hexanamide
CID 54928730
2-amino-N-(3-bromo-2-methylphenyl)butanamide
CID 103794806
2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride
CID 12546861
6-amino-N-(2-bromo-6-fluorophenyl)-4-ethylhexanamide
CID 107599928
N-(2-amino-6-fluorophenyl)-2-methylbutanamide
CID 81314159
methyl 2-(2-bromo-6-fluoroanilino)butanoate
CID 107598578
(2R)-2-amino-N-(2-chloro-6-fluorophenyl)pentanamide
CID 107570747

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-6-fluorophenyl)butanamide?
The IUPAC name of 2-amino-N-(2-bromo-6-fluorophenyl)butanamide (CID 107599827) is 2-amino-N-(2-bromo-6-fluorophenyl)butanamide.
What is the SMILES notation for 2-amino-N-(2-bromo-6-fluorophenyl)butanamide?
The canonical SMILES for 2-amino-N-(2-bromo-6-fluorophenyl)butanamide is CCC(N)C(=O)Nc1c(F)cccc1Br.
What is the InChIKey of 2-amino-N-(2-bromo-6-fluorophenyl)butanamide?
The InChIKey is JSVQVMDXGGTGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c1-2-8(13)10(15)14-9-6(11)4-3-5-7(9)12/h3-5,8H,2,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-N-(2-bromo-6-fluorophenyl)butanamide?
2-amino-N-(2-bromo-6-fluorophenyl)butanamide has a molecular weight of 275.12 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromo-6-fluorophenyl)butanamide is sourced from PubChem (CID 107599827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).