N-(1-aminobutan-2-yl)-3-bromo-2-fluorobenzamide

C11H14BrFN2O — CID 107956165

IUPACN-(1-aminobutan-2-yl)-3-bromo-2-fluorobenzamide
SMILESCCC(CN)NC(=O)c1cccc(Br)c1F
InChIInChI=1S/C11H14BrFN2O/c1-2-7(6-14)15-11(16)8-4-3-5-9(12)10(8)13/h3-5,7H,2,6,14H2,1H3,(H,15,16)
InChIKeyXTHIOLZIZAXUGP-UHFFFAOYSA-N
MW289.15 g/mol
LogP2.06
Rot. Bonds4

About N-(1-aminobutan-2-yl)-3-bromo-2-fluorobenzamide

N-(1-aminobutan-2-yl)-3-bromo-2-fluorobenzamide (PubChem CID 107956165) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-3-bromo-2-fluorobenzamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-3-bromo-2-fluorobenzamide
PubChem CID107956165
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC NameN-(1-aminobutan-2-yl)-3-bromo-2-fluorobenzamide
SMILESCCC(CN)NC(=O)c1cccc(Br)c1F
InChIInChI=1S/C11H14BrFN2O/c1-2-7(6-14)15-11(16)8-4-3-5-9(12)10(8)13/h3-5,7H,2,6,14H2,1H3,(H,15,16)
InChIKeyXTHIOLZIZAXUGP-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopentan-2-yl)-3-bromo-2-fluorobenzamide
CID 107956167
3-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide
CID 107951914
N-(1-aminobutan-2-yl)-2-bromo-5-methylbenzamide
CID 81111665
N-(1-aminobutan-2-yl)-2-chlorobenzamide
CID 65193613
3-bromo-N-ethoxy-2-fluorobenzamide
CID 106547791
(2R)-2-[(3-bromo-2-fluorobenzoyl)amino]propanoic acid
CID 107949095
3-bromo-2-fluoro-N-(6-methylheptan-2-yl)benzamide
CID 107951723
3-bromo-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzamide
CID 106547482
2-[(3-bromo-2-fluorobenzoyl)amino]hexanoic acid
CID 107948998
3-bromo-N-(2-chlorobutyl)-2-fluorobenzamide
CID 107956821
3-bromo-N-(2-bromo-1-phenylethyl)-2-fluorobenzamide
CID 107956724
3-bromo-N-(5-chloropentan-2-yl)-2-fluorobenzamide
CID 107956694

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-3-bromo-2-fluorobenzamide?
The IUPAC name of N-(1-aminobutan-2-yl)-3-bromo-2-fluorobenzamide (CID 107956165) is N-(1-aminobutan-2-yl)-3-bromo-2-fluorobenzamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-3-bromo-2-fluorobenzamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-3-bromo-2-fluorobenzamide is CCC(CN)NC(=O)c1cccc(Br)c1F.
What is the InChIKey of N-(1-aminobutan-2-yl)-3-bromo-2-fluorobenzamide?
The InChIKey is XTHIOLZIZAXUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-2-7(6-14)15-11(16)8-4-3-5-9(12)10(8)13/h3-5,7H,2,6,14H2,1H3,(H,15,16).
What are the key properties of N-(1-aminobutan-2-yl)-3-bromo-2-fluorobenzamide?
N-(1-aminobutan-2-yl)-3-bromo-2-fluorobenzamide has a molecular weight of 289.15 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-3-bromo-2-fluorobenzamide is sourced from PubChem (CID 107956165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).