3-bromo-5-fluoro-N-(2-methylpropoxy)benzamide

C11H13BrFNO2 — CID 115409989

IUPAC3-bromo-5-fluoro-N-(2-methylpropoxy)benzamide
SMILESCC(C)CONC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C11H13BrFNO2/c1-7(2)6-16-14-11(15)8-3-9(12)5-10(13)4-8/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyBRNBBJXBYBWIOW-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.91
Rot. Bonds4

About 3-bromo-5-fluoro-N-(2-methylpropoxy)benzamide

3-bromo-5-fluoro-N-(2-methylpropoxy)benzamide (PubChem CID 115409989) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-(2-methylpropoxy)benzamide
PubChem CID115409989
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Name3-bromo-5-fluoro-N-(2-methylpropoxy)benzamide
SMILESCC(C)CONC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C11H13BrFNO2/c1-7(2)6-16-14-11(15)8-3-9(12)5-10(13)4-8/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyBRNBBJXBYBWIOW-UHFFFAOYSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-dibromo-N-(2-methylpropoxy)benzamide
CID 103908515
2-methylpropyl 3-bromo-5-fluorobenzoate
CID 142440915
2-[(3-bromo-5-fluorobenzoyl)amino]oxyacetic acid
CID 63929905
3-bromo-N-(2-methylpropoxy)-5-nitrobenzamide
CID 115409904
4-bromo-N-(2-methylpropoxy)benzamide
CID 115410038
3-bromo-5-fluoro-N-(1-hydroxypropan-2-yl)benzamide
CID 43476832
N-(2-aminobutyl)-3-bromo-5-fluorobenzamide
CID 63731163
3-bromo-5-fluoro-N-(4-hydroxy-3-methylbutan-2-yl)benzamide
CID 113264397
3-bromo-5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79246230
3-bromo-N-(2-chloro-4-methylpentyl)-5-fluorobenzamide
CID 107157516
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-bromo-5-fluorobenzamide
CID 62666899
1-(3-bromo-5-fluorophenyl)-5-methylhexan-1-one
CID 83161742

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-(2-methylpropoxy)benzamide?
The IUPAC name of 3-bromo-5-fluoro-N-(2-methylpropoxy)benzamide (CID 115409989) is 3-bromo-5-fluoro-N-(2-methylpropoxy)benzamide.
What is the SMILES notation for 3-bromo-5-fluoro-N-(2-methylpropoxy)benzamide?
The canonical SMILES for 3-bromo-5-fluoro-N-(2-methylpropoxy)benzamide is CC(C)CONC(=O)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-5-fluoro-N-(2-methylpropoxy)benzamide?
The InChIKey is BRNBBJXBYBWIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-7(2)6-16-14-11(15)8-3-9(12)5-10(13)4-8/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of 3-bromo-5-fluoro-N-(2-methylpropoxy)benzamide?
3-bromo-5-fluoro-N-(2-methylpropoxy)benzamide has a molecular weight of 290.13 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-N-(2-methylpropoxy)benzamide is sourced from PubChem (CID 115409989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).