N-(1-amino-2,4-dimethylpentan-2-yl)-3-bromo-2-methylbenzamide

C15H23BrN2O — CID 81485460

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-bromo-2-methylbenzamide
SMILESCc1c(Br)cccc1C(=O)NC(C)(CN)CC(C)C
InChIInChI=1S/C15H23BrN2O/c1-10(2)8-15(4,9-17)18-14(19)12-6-5-7-13(16)11(12)3/h5-7,10H,8-9,17H2,1-4H3,(H,18,19)
InChIKeyWNWUORJZVIHJRV-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.25
Rot. Bonds5

About N-(1-amino-2,4-dimethylpentan-2-yl)-3-bromo-2-methylbenzamide

N-(1-amino-2,4-dimethylpentan-2-yl)-3-bromo-2-methylbenzamide (PubChem CID 81485460) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-bromo-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-bromo-2-methylbenzamide
PubChem CID81485460
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-bromo-2-methylbenzamide
SMILESCc1c(Br)cccc1C(=O)NC(C)(CN)CC(C)C
InChIInChI=1S/C15H23BrN2O/c1-10(2)8-15(4,9-17)18-14(19)12-6-5-7-13(16)11(12)3/h5-7,10H,8-9,17H2,1-4H3,(H,18,19)
InChIKeyWNWUORJZVIHJRV-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbenzamide
CID 81487529
N-(1-amino-2,3-dimethylbutan-2-yl)-3-bromo-2-methylbenzamide;hydrochloride
CID 119607831
N-(1-amino-2,4-dimethylpentan-2-yl)-2,4-dibromobenzamide
CID 107940162
2-amino-N-(1-amino-2,4-dimethylpentan-2-yl)-3-nitrobenzamide
CID 119598454
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-bromophenyl)acetamide
CID 119599373
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzamide
CID 81486385
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methylbenzamide;hydrochloride
CID 119598613
N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 119599272
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-chlorobenzamide;hydrochloride
CID 119599263
N-(1-amino-2,4-dimethylpentan-2-yl)-5-bromo-2-hydroxybenzamide
CID 104872338
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride
CID 119599324
2-[(3-bromo-2-methylbenzoyl)amino]-2-methylbutanoic acid
CID 79792649

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-bromo-2-methylbenzamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-bromo-2-methylbenzamide (CID 81485460) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-bromo-2-methylbenzamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-bromo-2-methylbenzamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-bromo-2-methylbenzamide is Cc1c(Br)cccc1C(=O)NC(C)(CN)CC(C)C.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-bromo-2-methylbenzamide?
The InChIKey is WNWUORJZVIHJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-10(2)8-15(4,9-17)18-14(19)12-6-5-7-13(16)11(12)3/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)-3-bromo-2-methylbenzamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-bromo-2-methylbenzamide has a molecular weight of 327.27 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3-bromo-2-methylbenzamide is sourced from PubChem (CID 81485460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).