2-bromo-N-butyl-6-fluorobenzamide

C11H13BrFNO — CID 115678075

IUPAC2-bromo-N-butyl-6-fluorobenzamide
SMILESCCCCNC(=O)c1c(F)cccc1Br
InChIInChI=1S/C11H13BrFNO/c1-2-3-7-14-11(15)10-8(12)5-4-6-9(10)13/h4-6H,2-3,7H2,1H3,(H,14,15)
InChIKeyPBNBXGMELDBLLJ-UHFFFAOYSA-N
MW274.13 g/mol
LogP3.12
Rot. Bonds4

About 2-bromo-N-butyl-6-fluorobenzamide

2-bromo-N-butyl-6-fluorobenzamide (PubChem CID 115678075) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 2-bromo-N-butyl-6-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-butyl-6-fluorobenzamide
PubChem CID115678075
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name2-bromo-N-butyl-6-fluorobenzamide
SMILESCCCCNC(=O)c1c(F)cccc1Br
InChIInChI=1S/C11H13BrFNO/c1-2-3-7-14-11(15)10-8(12)5-4-6-9(10)13/h4-6H,2-3,7H2,1H3,(H,14,15)
InChIKeyPBNBXGMELDBLLJ-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-butyl-2-fluorobenzamide
CID 106544046
2-bromo-6-fluoro-N-(3-methylsulfanylpropyl)benzamide
CID 115679118
2-bromo-6-fluoro-N-(3-methylsulfinylpropyl)benzamide
CID 115679027
2-bromo-N-[2-(ethylamino)ethyl]-6-fluorobenzamide;hydrochloride
CID 119509128
2-bromo-6-fluoro-N-(3-phenylpropyl)benzamide
CID 115678122
2-bromo-6-fluoro-N-(3-propan-2-yloxypropyl)benzamide
CID 71977759
methyl 3-[(2-bromo-6-fluorobenzoyl)amino]propanoate
CID 115678601
2-bromo-N-(2-ethyl-2-hydroxybutyl)-6-fluorobenzamide
CID 111780819
4,6-dibromo-1-N,3-N-dibutylbenzene-1,3-dicarboxamide
CID 57338151
2,3-difluoro-N-pentylbenzamide
CID 62649821
2-bromo-6-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103747776
2-bromo-6-fluoro-N-prop-2-enylbenzamide
CID 115678484

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-butyl-6-fluorobenzamide?
The IUPAC name of 2-bromo-N-butyl-6-fluorobenzamide (CID 115678075) is 2-bromo-N-butyl-6-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-butyl-6-fluorobenzamide?
The canonical SMILES for 2-bromo-N-butyl-6-fluorobenzamide is CCCCNC(=O)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-N-butyl-6-fluorobenzamide?
The InChIKey is PBNBXGMELDBLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c1-2-3-7-14-11(15)10-8(12)5-4-6-9(10)13/h4-6H,2-3,7H2,1H3,(H,14,15).
What are the key properties of 2-bromo-N-butyl-6-fluorobenzamide?
2-bromo-N-butyl-6-fluorobenzamide has a molecular weight of 274.13 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-butyl-6-fluorobenzamide is sourced from PubChem (CID 115678075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).