N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-bromobenzamide

C12H15BrN2O2 — CID 104579484

IUPACN-(4-amino-2-methyl-4-oxobutan-2-yl)-3-bromobenzamide
SMILESCC(C)(CC(N)=O)NC(=O)c1cccc(Br)c1
InChIInChI=1S/C12H15BrN2O2/c1-12(2,7-10(14)16)15-11(17)8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyIJPOSRWRDHTSCJ-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.83
Rot. Bonds4

About N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-bromobenzamide

N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-bromobenzamide (PubChem CID 104579484) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-bromobenzamide.

Molecular Properties

Compound NameN-(4-amino-2-methyl-4-oxobutan-2-yl)-3-bromobenzamide
PubChem CID104579484
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC NameN-(4-amino-2-methyl-4-oxobutan-2-yl)-3-bromobenzamide
SMILESCC(C)(CC(N)=O)NC(=O)c1cccc(Br)c1
InChIInChI=1S/C12H15BrN2O2/c1-12(2,7-10(14)16)15-11(17)8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyIJPOSRWRDHTSCJ-UHFFFAOYSA-N
XLogP1.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-bromobenzoyl)amino]-4-methylpentanoic acid
CID 62041752
3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
CID 113347743
2-[(3-bromobenzoyl)amino]-2-methylpropanoic acid
CID 61262617
4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydroxybenzamide
CID 106095382
3-bromo-N-(3-hydroxy-2-methylbutan-2-yl)benzamide
CID 115884425
3-N-(1-amino-2-methylpropan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119523948
4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-fluorobenzamide
CID 106095377
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)pyridine-4-carboxamide
CID 106098402
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-sulfanylbenzamide
CID 106098592
N-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide
CID 115267254
3-bromo-N-[3-(chloromethyl)pentan-3-yl]benzamide
CID 114304614
(2R)-2-[(3-bromobenzoyl)amino]-2-methyl-4-oxobutanoic acid
CID 54368955

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-bromobenzamide?
The IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-bromobenzamide (CID 104579484) is N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-bromobenzamide.
What is the SMILES notation for N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-bromobenzamide?
The canonical SMILES for N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-bromobenzamide is CC(C)(CC(N)=O)NC(=O)c1cccc(Br)c1.
What is the InChIKey of N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-bromobenzamide?
The InChIKey is IJPOSRWRDHTSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-12(2,7-10(14)16)15-11(17)8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-bromobenzamide?
N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-bromobenzamide has a molecular weight of 299.17 g/mol, XLogP of 1.83, 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)-3-bromobenzamide is sourced from PubChem (CID 104579484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).