2-bromo-N-(2,2-dimethylbutyl)-5-fluorobenzamide

C13H17BrFNO — CID 103461894

IUPAC2-bromo-N-(2,2-dimethylbutyl)-5-fluorobenzamide
SMILESCCC(C)(C)CNC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C13H17BrFNO/c1-4-13(2,3)8-16-12(17)10-7-9(15)5-6-11(10)14/h5-7H,4,8H2,1-3H3,(H,16,17)
InChIKeyNAOZWHJCQWADJL-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.75
Rot. Bonds4

About 2-bromo-N-(2,2-dimethylbutyl)-5-fluorobenzamide

2-bromo-N-(2,2-dimethylbutyl)-5-fluorobenzamide (PubChem CID 103461894) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 2-bromo-N-(2,2-dimethylbutyl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(2,2-dimethylbutyl)-5-fluorobenzamide
PubChem CID103461894
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name2-bromo-N-(2,2-dimethylbutyl)-5-fluorobenzamide
SMILESCCC(C)(C)CNC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C13H17BrFNO/c1-4-13(2,3)8-16-12(17)10-7-9(15)5-6-11(10)14/h5-7H,4,8H2,1-3H3,(H,16,17)
InChIKeyNAOZWHJCQWADJL-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(3-chloro-2,2-dimethylpropyl)-5-fluorobenzamide
CID 115364720
2-bromo-5-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 113258866
N-(2-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
CID 81483150
2-bromo-N-(5-bromo-2,2-dimethylpentyl)-5-fluorobenzamide
CID 114149717
2-bromo-N-(2,2-dimethylbutyl)-5-(trifluoromethyl)benzamide
CID 103461931
2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-5-fluorobenzamide
CID 66169373
N-(2,2-dimethylbutyl)-4-fluoro-2-iodobenzamide
CID 106547719
ethyl 2-[(2-bromo-5-fluorobenzoyl)amino]acetate
CID 47257275
2-bromo-4-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772342
2-[(2-bromo-5-fluorobenzoyl)amino]-2-ethylbutanoic acid
CID 79806832
methyl (2R)-2-[(2-bromo-5-fluorobenzoyl)amino]-2-methylbutanoate
CID 94800835
2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
CID 24703783

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,2-dimethylbutyl)-5-fluorobenzamide?
The IUPAC name of 2-bromo-N-(2,2-dimethylbutyl)-5-fluorobenzamide (CID 103461894) is 2-bromo-N-(2,2-dimethylbutyl)-5-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(2,2-dimethylbutyl)-5-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(2,2-dimethylbutyl)-5-fluorobenzamide is CCC(C)(C)CNC(=O)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-N-(2,2-dimethylbutyl)-5-fluorobenzamide?
The InChIKey is NAOZWHJCQWADJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-4-13(2,3)8-16-12(17)10-7-9(15)5-6-11(10)14/h5-7H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 2-bromo-N-(2,2-dimethylbutyl)-5-fluorobenzamide?
2-bromo-N-(2,2-dimethylbutyl)-5-fluorobenzamide has a molecular weight of 302.19 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,2-dimethylbutyl)-5-fluorobenzamide is sourced from PubChem (CID 103461894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).