3-bromo-N-(2-bromo-3-methylbutyl)-4-fluorobenzamide

C12H14Br2FNO — CID 107956828

IUPAC3-bromo-N-(2-bromo-3-methylbutyl)-4-fluorobenzamide
SMILESCC(C)C(Br)CNC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H14Br2FNO/c1-7(2)10(14)6-16-12(17)8-3-4-11(15)9(13)5-8/h3-5,7,10H,6H2,1-2H3,(H,16,17)
InChIKeyLQFVBDGFWIMDKU-UHFFFAOYSA-N
MW367.06 g/mol
LogP3.74
Rot. Bonds4

About 3-bromo-N-(2-bromo-3-methylbutyl)-4-fluorobenzamide

3-bromo-N-(2-bromo-3-methylbutyl)-4-fluorobenzamide (PubChem CID 107956828) has the molecular formula C12H14Br2FNO and a molecular weight of 367.06 g/mol. Its IUPAC name is 3-bromo-N-(2-bromo-3-methylbutyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromo-3-methylbutyl)-4-fluorobenzamide
PubChem CID107956828
Molecular FormulaC12H14Br2FNO
Molecular Weight367.06 g/mol
Exact Mass364.94
IUPAC Name3-bromo-N-(2-bromo-3-methylbutyl)-4-fluorobenzamide
SMILESCC(C)C(Br)CNC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H14Br2FNO/c1-7(2)10(14)6-16-12(17)8-3-4-11(15)9(13)5-8/h3-5,7,10H,6H2,1-2H3,(H,16,17)
InChIKeyLQFVBDGFWIMDKU-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.06
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminopropyl)-3-bromo-4-fluorobenzamide
CID 107956111
3-bromo-N-(2-bromo-3-ethylpentyl)-4-fluorobenzamide
CID 106288362
3-bromo-4-fluoro-N-[(2S)-2-methyl-3-(methylamino)propyl]benzamide
CID 99849695
methyl 3-[(3-bromo-4-fluorobenzoyl)amino]-2-iodopropanoate
CID 107956905
N-(2-amino-2-phenylethyl)-3-bromo-4-fluorobenzamide
CID 103806531
3-bromo-N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide
CID 107956765
3-bromo-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 113244840
4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 83030765
3-bromo-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzamide
CID 103706830
N-(2-aminopropyl)-3,4-difluorobenzamide
CID 63732931
3-bromo-4-fluoro-N-(3-methylbut-2-enyl)benzamide
CID 103528184
N-(2-amino-3-hydroxybutyl)-4-bromo-3-fluorobenzamide
CID 64540601

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromo-3-methylbutyl)-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-(2-bromo-3-methylbutyl)-4-fluorobenzamide (CID 107956828) is 3-bromo-N-(2-bromo-3-methylbutyl)-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(2-bromo-3-methylbutyl)-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(2-bromo-3-methylbutyl)-4-fluorobenzamide is CC(C)C(Br)CNC(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N-(2-bromo-3-methylbutyl)-4-fluorobenzamide?
The InChIKey is LQFVBDGFWIMDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2FNO/c1-7(2)10(14)6-16-12(17)8-3-4-11(15)9(13)5-8/h3-5,7,10H,6H2,1-2H3,(H,16,17).
What are the key properties of 3-bromo-N-(2-bromo-3-methylbutyl)-4-fluorobenzamide?
3-bromo-N-(2-bromo-3-methylbutyl)-4-fluorobenzamide has a molecular weight of 367.06 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-bromo-3-methylbutyl)-4-fluorobenzamide is sourced from PubChem (CID 107956828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).