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

C15H23BrN2O2 — CID 115369688

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NC(C)(CN)CC(C)C
InChIInChI=1S/C15H23BrN2O2/c1-10(2)8-15(3,9-17)18-14(19)12-6-5-11(16)7-13(12)20-4/h5-7,10H,8-9,17H2,1-4H3,(H,18,19)
InChIKeyQLJYYJDOIJZVRK-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.95
Rot. Bonds6

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

N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methoxybenzamide (PubChem CID 115369688) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methoxybenzamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methoxybenzamide
PubChem CID115369688
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NC(C)(CN)CC(C)C
InChIInChI=1S/C15H23BrN2O2/c1-10(2)8-15(3,9-17)18-14(19)12-6-5-11(16)7-13(12)20-4/h5-7,10H,8-9,17H2,1-4H3,(H,18,19)
InChIKeyQLJYYJDOIJZVRK-UHFFFAOYSA-N
XLogP2.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-2,4-dibromobenzamide
CID 107940162
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methylbenzamide;hydrochloride
CID 119598613
N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-methoxybenzamide
CID 115369689
N-(1-amino-2,4-dimethylpentan-2-yl)-5-bromo-2-hydroxybenzamide
CID 104872338
N-(1-amino-2,4-dimethylpentan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 115309726
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
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzamide
CID 81486385
4-bromo-2-methoxy-N-(2-methylpropoxy)benzamide
CID 115409622
N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methoxybenzamide
CID 81487072
N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide
CID 81482472
4-bromo-2-methoxy-N-(2,2,3-trimethylbutyl)benzamide
CID 114100346

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methoxybenzamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methoxybenzamide (CID 115369688) is N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methoxybenzamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methoxybenzamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methoxybenzamide is COc1cc(Br)ccc1C(=O)NC(C)(CN)CC(C)C.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methoxybenzamide?
The InChIKey is QLJYYJDOIJZVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-10(2)8-15(3,9-17)18-14(19)12-6-5-11(16)7-13(12)20-4/h5-7,10H,8-9,17H2,1-4H3,(H,18,19).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methoxybenzamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methoxybenzamide has a molecular weight of 343.27 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methoxybenzamide is sourced from PubChem (CID 115369688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).