3-amino-N-(2-bromo-6-fluorophenyl)-3-methylbutanamide

C11H14BrFN2O — CID 107599929

IUPAC3-amino-N-(2-bromo-6-fluorophenyl)-3-methylbutanamide
SMILESCC(C)(N)CC(=O)Nc1c(F)cccc1Br
InChIInChI=1S/C11H14BrFN2O/c1-11(2,14)6-9(16)15-10-7(12)4-3-5-8(10)13/h3-5H,6,14H2,1-2H3,(H,15,16)
InChIKeyFPXRBNHLAMVJID-UHFFFAOYSA-N
MW289.15 g/mol
LogP2.65
Rot. Bonds3

About 3-amino-N-(2-bromo-6-fluorophenyl)-3-methylbutanamide

3-amino-N-(2-bromo-6-fluorophenyl)-3-methylbutanamide (PubChem CID 107599929) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-6-fluorophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-6-fluorophenyl)-3-methylbutanamide
PubChem CID107599929
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC Name3-amino-N-(2-bromo-6-fluorophenyl)-3-methylbutanamide
SMILESCC(C)(N)CC(=O)Nc1c(F)cccc1Br
InChIInChI=1S/C11H14BrFN2O/c1-11(2,14)6-9(16)15-10-7(12)4-3-5-8(10)13/h3-5H,6,14H2,1-2H3,(H,15,16)
InChIKeyFPXRBNHLAMVJID-UHFFFAOYSA-N
XLogP2.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2,6-difluorophenyl)-3-methylbutanamide
CID 64684364
4-(2-bromo-6-fluoroanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 103740790
3-amino-N-(2-bromo-6-fluorophenyl)-2,2,3-trimethylbutanamide
CID 107599820
3-amino-N-(2,3-difluorophenyl)-3-methylbutanamide
CID 64678372
3-amino-N-(3-fluoro-2-methylphenyl)-3-methylbutanamide
CID 64678036
N-(2-bromo-6-fluorophenyl)acetamide
CID 59145529
5-amino-N-(2-bromo-6-fluorophenyl)pentanamide
CID 107599895
N-(2-bromo-6-fluorophenyl)-2-ethoxyacetamide
CID 71859325
3-(2-bromo-6-fluorophenyl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea
CID 84598697
N-(2-bromo-6-fluorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107604233
2-amino-N-(2-bromo-6-fluorophenyl)butanamide
CID 107599827
2-(1-aminocyclobutyl)-N-(2-bromo-6-fluorophenyl)acetamide
CID 107599843

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-6-fluorophenyl)-3-methylbutanamide?
The IUPAC name of 3-amino-N-(2-bromo-6-fluorophenyl)-3-methylbutanamide (CID 107599929) is 3-amino-N-(2-bromo-6-fluorophenyl)-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-(2-bromo-6-fluorophenyl)-3-methylbutanamide?
The canonical SMILES for 3-amino-N-(2-bromo-6-fluorophenyl)-3-methylbutanamide is CC(C)(N)CC(=O)Nc1c(F)cccc1Br.
What is the InChIKey of 3-amino-N-(2-bromo-6-fluorophenyl)-3-methylbutanamide?
The InChIKey is FPXRBNHLAMVJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-11(2,14)6-9(16)15-10-7(12)4-3-5-8(10)13/h3-5H,6,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-N-(2-bromo-6-fluorophenyl)-3-methylbutanamide?
3-amino-N-(2-bromo-6-fluorophenyl)-3-methylbutanamide has a molecular weight of 289.15 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-6-fluorophenyl)-3-methylbutanamide is sourced from PubChem (CID 107599929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).