N-(2-aminobutyl)-4-bromo-2-fluorobenzamide

C11H14BrFN2O — CID 63732420

IUPACN-(2-aminobutyl)-4-bromo-2-fluorobenzamide
SMILESCCC(N)CNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H14BrFN2O/c1-2-8(14)6-15-11(16)9-4-3-7(12)5-10(9)13/h3-5,8H,2,6,14H2,1H3,(H,15,16)
InChIKeyGKVWBZZCEPYJIW-UHFFFAOYSA-N
MW289.15 g/mol
LogP2.06
Rot. Bonds4

About N-(2-aminobutyl)-4-bromo-2-fluorobenzamide

N-(2-aminobutyl)-4-bromo-2-fluorobenzamide (PubChem CID 63732420) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is N-(2-aminobutyl)-4-bromo-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2-aminobutyl)-4-bromo-2-fluorobenzamide
PubChem CID63732420
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC NameN-(2-aminobutyl)-4-bromo-2-fluorobenzamide
SMILESCCC(N)CNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H14BrFN2O/c1-2-8(14)6-15-11(16)9-4-3-7(12)5-10(9)13/h3-5,8H,2,6,14H2,1H3,(H,15,16)
InChIKeyGKVWBZZCEPYJIW-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

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4-bromo-2-fluoro-N-pentan-3-ylbenzamide
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4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide
CID 120650065
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4-bromo-N-(2,2-dimethoxyethyl)-2-fluorobenzamide
CID 61247809
4-bromo-N-[2-(2-chloroethyl)pentyl]-2-fluorobenzamide
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N-(2-aminobutyl)-3-bromo-5-fluorobenzamide
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4-bromo-2-fluoro-N-[2-(propylamino)ethyl]benzamide
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CID 9089971

Frequently Asked Questions

What is the IUPAC name of N-(2-aminobutyl)-4-bromo-2-fluorobenzamide?
The IUPAC name of N-(2-aminobutyl)-4-bromo-2-fluorobenzamide (CID 63732420) is N-(2-aminobutyl)-4-bromo-2-fluorobenzamide.
What is the SMILES notation for N-(2-aminobutyl)-4-bromo-2-fluorobenzamide?
The canonical SMILES for N-(2-aminobutyl)-4-bromo-2-fluorobenzamide is CCC(N)CNC(=O)c1ccc(Br)cc1F.
What is the InChIKey of N-(2-aminobutyl)-4-bromo-2-fluorobenzamide?
The InChIKey is GKVWBZZCEPYJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-2-8(14)6-15-11(16)9-4-3-7(12)5-10(9)13/h3-5,8H,2,6,14H2,1H3,(H,15,16).
What are the key properties of N-(2-aminobutyl)-4-bromo-2-fluorobenzamide?
N-(2-aminobutyl)-4-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-(2-aminobutyl)-4-bromo-2-fluorobenzamide is sourced from PubChem (CID 63732420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).