N-(2-aminobutyl)-3-bromo-5-fluorobenzamide

C11H14BrFN2O — CID 63731163

IUPACN-(2-aminobutyl)-3-bromo-5-fluorobenzamide
SMILESCCC(N)CNC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C11H14BrFN2O/c1-2-10(14)6-15-11(16)7-3-8(12)5-9(13)4-7/h3-5,10H,2,6,14H2,1H3,(H,15,16)
InChIKeyNUFOGKUTWDUQEB-UHFFFAOYSA-N
MW289.15 g/mol
LogP2.06
Rot. Bonds4

About N-(2-aminobutyl)-3-bromo-5-fluorobenzamide

N-(2-aminobutyl)-3-bromo-5-fluorobenzamide (PubChem CID 63731163) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is N-(2-aminobutyl)-3-bromo-5-fluorobenzamide.

Molecular Properties

Compound NameN-(2-aminobutyl)-3-bromo-5-fluorobenzamide
PubChem CID63731163
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC NameN-(2-aminobutyl)-3-bromo-5-fluorobenzamide
SMILESCCC(N)CNC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C11H14BrFN2O/c1-2-10(14)6-15-11(16)7-3-8(12)5-9(13)4-7/h3-5,10H,2,6,14H2,1H3,(H,15,16)
InChIKeyNUFOGKUTWDUQEB-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-(2-aminobutyl)-3-bromo-5-methylbenzamide
CID 115999631
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-bromo-5-fluorobenzamide
CID 62666899
N-(2-aminopentyl)-3,5-difluorobenzamide
CID 115737672
3-bromo-N-(3,3-difluoro-2-hydroxypropyl)-5-fluorobenzamide
CID 103770519
N-(2-aminobutyl)-4-bromo-2-fluorobenzamide
CID 63732420
3-bromo-5-fluoro-N-(3-hydroxypentyl)benzamide
CID 113259409
3-bromo-N-(2-chloro-4-methylpentyl)-5-fluorobenzamide
CID 107157516
3-bromo-N-(2-bromo-2-phenylethyl)-5-fluorobenzamide
CID 114308397
3-bromo-5-fluoro-N-(2-methylpropoxy)benzamide
CID 115409989
3-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluorobenzamide
CID 55713696
3-bromo-5-fluoro-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 110620744
3,5-dibromo-N-(2-chlorobutyl)benzamide
CID 107975285

Frequently Asked Questions

What is the IUPAC name of N-(2-aminobutyl)-3-bromo-5-fluorobenzamide?
The IUPAC name of N-(2-aminobutyl)-3-bromo-5-fluorobenzamide (CID 63731163) is N-(2-aminobutyl)-3-bromo-5-fluorobenzamide.
What is the SMILES notation for N-(2-aminobutyl)-3-bromo-5-fluorobenzamide?
The canonical SMILES for N-(2-aminobutyl)-3-bromo-5-fluorobenzamide is CCC(N)CNC(=O)c1cc(F)cc(Br)c1.
What is the InChIKey of N-(2-aminobutyl)-3-bromo-5-fluorobenzamide?
The InChIKey is NUFOGKUTWDUQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-2-10(14)6-15-11(16)7-3-8(12)5-9(13)4-7/h3-5,10H,2,6,14H2,1H3,(H,15,16).
What are the key properties of N-(2-aminobutyl)-3-bromo-5-fluorobenzamide?
N-(2-aminobutyl)-3-bromo-5-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-(2-aminobutyl)-3-bromo-5-fluorobenzamide is sourced from PubChem (CID 63731163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).