N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-methoxybenzamide

C14H21BrN2O2 — CID 115369689

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NC(C)(CN)C(C)C
InChIInChI=1S/C14H21BrN2O2/c1-9(2)14(3,8-16)17-13(18)11-6-5-10(15)7-12(11)19-4/h5-7,9H,8,16H2,1-4H3,(H,17,18)
InChIKeyWZMAGRJLENOKOQ-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.56
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-methoxybenzamide

N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-methoxybenzamide (PubChem CID 115369689) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-methoxybenzamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-methoxybenzamide
PubChem CID115369689
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NC(C)(CN)C(C)C
InChIInChI=1S/C14H21BrN2O2/c1-9(2)14(3,8-16)17-13(18)11-6-5-10(15)7-12(11)19-4/h5-7,9H,8,16H2,1-4H3,(H,17,18)
InChIKeyWZMAGRJLENOKOQ-UHFFFAOYSA-N
XLogP2.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzamide;hydrochloride
CID 119606880
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methoxybenzamide
CID 115369688
N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-chlorobenzamide
CID 81487258
N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-3,5-dimethoxybenzamide
CID 119605500
4-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 115369210
4-bromo-2-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 78987462
4-bromo-2-methoxy-N-(2,2,3-trimethylbutyl)benzamide
CID 114100346
N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide
CID 81482472
N-(1-amino-2,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide;hydrochloride
CID 119607834
4-bromo-2-methoxy-N-(2-methylpropoxy)benzamide
CID 115409622
4-bromo-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxybenzamide
CID 107865880
4-bromo-N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-methoxybenzamide
CID 114010993

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-methoxybenzamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-methoxybenzamide (CID 115369689) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-methoxybenzamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-methoxybenzamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-methoxybenzamide is COc1cc(Br)ccc1C(=O)NC(C)(CN)C(C)C.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-methoxybenzamide?
The InChIKey is WZMAGRJLENOKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-9(2)14(3,8-16)17-13(18)11-6-5-10(15)7-12(11)19-4/h5-7,9H,8,16H2,1-4H3,(H,17,18).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-methoxybenzamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-methoxybenzamide has a molecular weight of 329.24 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-methoxybenzamide is sourced from PubChem (CID 115369689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).