N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-bromo-4-fluorobenzamide

C12H14BrFN2O2 — CID 104579471

IUPACN-(4-amino-2-methyl-4-oxobutan-2-yl)-2-bromo-4-fluorobenzamide
SMILESCC(C)(CC(N)=O)NC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C12H14BrFN2O2/c1-12(2,6-10(15)17)16-11(18)8-4-3-7(14)5-9(8)13/h3-5H,6H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyIMEWTDYMQSMQNQ-UHFFFAOYSA-N
MW317.16 g/mol
LogP1.97
Rot. Bonds4

About N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-bromo-4-fluorobenzamide

N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-bromo-4-fluorobenzamide (PubChem CID 104579471) has the molecular formula C12H14BrFN2O2 and a molecular weight of 317.16 g/mol. Its IUPAC name is N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-bromo-4-fluorobenzamide.

Molecular Properties

Compound NameN-(4-amino-2-methyl-4-oxobutan-2-yl)-2-bromo-4-fluorobenzamide
PubChem CID104579471
Molecular FormulaC12H14BrFN2O2
Molecular Weight317.16 g/mol
Exact Mass316.02
IUPAC NameN-(4-amino-2-methyl-4-oxobutan-2-yl)-2-bromo-4-fluorobenzamide
SMILESCC(C)(CC(N)=O)NC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C12H14BrFN2O2/c1-12(2,6-10(15)17)16-11(18)8-4-3-7(14)5-9(8)13/h3-5H,6H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyIMEWTDYMQSMQNQ-UHFFFAOYSA-N
XLogP1.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 113343240
2-bromo-4-fluoro-N-(2-methylpentan-2-yl)benzamide
CID 115598469
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(3-aminoprop-1-ynyl)-4-fluorobenzamide
CID 106098217
2-bromo-N-(3-carbamothioylpentan-3-yl)-4-fluorobenzamide
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2-bromo-4-fluorobenzohydrazide
CID 16780865
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-bromo-5-sulfanylbenzamide
CID 114143208
N-[3-(aminomethyl)pentan-3-yl]-2-bromo-4-fluorobenzamide;hydrochloride
CID 119570474
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzamide
CID 81486385
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2-bromo-N-(1,1-diphenylethyl)-4-fluorobenzamide
CID 56522962
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CID 14002103

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-bromo-4-fluorobenzamide?
The IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-bromo-4-fluorobenzamide (CID 104579471) is N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-bromo-4-fluorobenzamide.
What is the SMILES notation for N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-bromo-4-fluorobenzamide?
The canonical SMILES for N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-bromo-4-fluorobenzamide is CC(C)(CC(N)=O)NC(=O)c1ccc(F)cc1Br.
What is the InChIKey of N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-bromo-4-fluorobenzamide?
The InChIKey is IMEWTDYMQSMQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O2/c1-12(2,6-10(15)17)16-11(18)8-4-3-7(14)5-9(8)13/h3-5H,6H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-bromo-4-fluorobenzamide?
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-bromo-4-fluorobenzamide has a molecular weight of 317.16 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-bromo-4-fluorobenzamide is sourced from PubChem (CID 104579471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).