2-bromo-4-fluoro-N-(2-methylpentan-2-yl)benzamide

C13H17BrFNO — CID 115598469

IUPAC2-bromo-4-fluoro-N-(2-methylpentan-2-yl)benzamide
SMILESCCCC(C)(C)NC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C13H17BrFNO/c1-4-7-13(2,3)16-12(17)10-6-5-9(15)8-11(10)14/h5-6,8H,4,7H2,1-3H3,(H,16,17)
InChIKeyVEPOYKAQULOVEA-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.90
Rot. Bonds4

About 2-bromo-4-fluoro-N-(2-methylpentan-2-yl)benzamide

2-bromo-4-fluoro-N-(2-methylpentan-2-yl)benzamide (PubChem CID 115598469) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(2-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(2-methylpentan-2-yl)benzamide
PubChem CID115598469
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name2-bromo-4-fluoro-N-(2-methylpentan-2-yl)benzamide
SMILESCCCC(C)(C)NC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C13H17BrFNO/c1-4-7-13(2,3)16-12(17)10-6-5-9(15)8-11(10)14/h5-6,8H,4,7H2,1-3H3,(H,16,17)
InChIKeyVEPOYKAQULOVEA-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 113343240
2-bromo-4-chloro-N-(2-methylpentan-2-yl)benzamide
CID 103764879
methyl 2-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpentanoate
CID 43423763
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-bromo-4-fluorobenzamide
CID 104579471
2-bromo-N-(3,3-dimethylbutyl)-4-fluorobenzamide
CID 115580238
2-bromo-N-(3-carbamothioylpentan-3-yl)-4-fluorobenzamide
CID 61120812
N-[3-(aminomethyl)pentan-3-yl]-2-bromo-4-fluorobenzamide;hydrochloride
CID 119570474
2-bromo-N-(1,1-diphenylethyl)-4-fluorobenzamide
CID 56522962
2-bromo-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 14002103
2-bromo-4-fluorobenzohydrazide
CID 16780865
2-fluoro-5-methyl-N-(2-methylpentan-2-yl)benzamide
CID 115605934
2-bromo-4-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772342

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(2-methylpentan-2-yl)benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-(2-methylpentan-2-yl)benzamide (CID 115598469) is 2-bromo-4-fluoro-N-(2-methylpentan-2-yl)benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(2-methylpentan-2-yl)benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(2-methylpentan-2-yl)benzamide is CCCC(C)(C)NC(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-(2-methylpentan-2-yl)benzamide?
The InChIKey is VEPOYKAQULOVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-4-7-13(2,3)16-12(17)10-6-5-9(15)8-11(10)14/h5-6,8H,4,7H2,1-3H3,(H,16,17).
What are the key properties of 2-bromo-4-fluoro-N-(2-methylpentan-2-yl)benzamide?
2-bromo-4-fluoro-N-(2-methylpentan-2-yl)benzamide has a molecular weight of 302.19 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(2-methylpentan-2-yl)benzamide is sourced from PubChem (CID 115598469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).