3-bromo-N-butyl-2-fluorobenzamide

C11H13BrFNO — CID 106544046

IUPAC3-bromo-N-butyl-2-fluorobenzamide
SMILESCCCCNC(=O)c1cccc(Br)c1F
InChIInChI=1S/C11H13BrFNO/c1-2-3-7-14-11(15)8-5-4-6-9(12)10(8)13/h4-6H,2-3,7H2,1H3,(H,14,15)
InChIKeyOHKOZQZONXYQEL-UHFFFAOYSA-N
MW274.13 g/mol
LogP3.12
Rot. Bonds4

About 3-bromo-N-butyl-2-fluorobenzamide

3-bromo-N-butyl-2-fluorobenzamide (PubChem CID 106544046) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 3-bromo-N-butyl-2-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-butyl-2-fluorobenzamide
PubChem CID106544046
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name3-bromo-N-butyl-2-fluorobenzamide
SMILESCCCCNC(=O)c1cccc(Br)c1F
InChIInChI=1S/C11H13BrFNO/c1-2-3-7-14-11(15)8-5-4-6-9(12)10(8)13/h4-6H,2-3,7H2,1H3,(H,14,15)
InChIKeyOHKOZQZONXYQEL-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

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CID 115678075
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CID 107948926
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CID 62649821
3-bromo-2-fluoro-N-(6-iodohexyl)benzamide
CID 114020519
3-bromo-2-fluoro-N-[3-(methanesulfonamido)propyl]benzamide
CID 106547809
N-(3-amino-3-oxopropyl)-3-bromo-2-fluorobenzamide
CID 106548051
4,6-dibromo-1-N,3-N-dibutylbenzene-1,3-dicarboxamide
CID 57338151
N-(5-amino-5-sulfanylidenepentyl)-3-bromo-2-fluorobenzamide
CID 107951242
N-decyl-2-fluoro-3-methylbenzamide
CID 81479719
3-bromo-2-chloro-N-hexylbenzamide
CID 103975214
3-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 106548063
3-bromo-N-(2-chlorobutyl)-2-fluorobenzamide
CID 107956821

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-butyl-2-fluorobenzamide?
The IUPAC name of 3-bromo-N-butyl-2-fluorobenzamide (CID 106544046) is 3-bromo-N-butyl-2-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-butyl-2-fluorobenzamide?
The canonical SMILES for 3-bromo-N-butyl-2-fluorobenzamide is CCCCNC(=O)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-N-butyl-2-fluorobenzamide?
The InChIKey is OHKOZQZONXYQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c1-2-3-7-14-11(15)8-5-4-6-9(12)10(8)13/h4-6H,2-3,7H2,1H3,(H,14,15).
What are the key properties of 3-bromo-N-butyl-2-fluorobenzamide?
3-bromo-N-butyl-2-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 3-bromo-N-butyl-2-fluorobenzamide is sourced from PubChem (CID 106544046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).