N-(1-amino-2,3-dimethylbutan-2-yl)-3-bromo-2-methylbenzamide;hydrochloride

C14H22BrClN2O — CID 119607831

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-bromo-2-methylbenzamide;hydrochloride
SMILESCc1c(Br)cccc1C(=O)NC(C)(CN)C(C)C.Cl
InChIInChI=1S/C14H21BrN2O.ClH/c1-9(2)14(4,8-16)17-13(18)11-6-5-7-12(15)10(11)3;/h5-7,9H,8,16H2,1-4H3,(H,17,18);1H
InChIKeyBVYVNEUHMXXZQE-UHFFFAOYSA-N
MW349.70 g/mol
LogP3.28
Rot. Bonds4

About N-(1-amino-2,3-dimethylbutan-2-yl)-3-bromo-2-methylbenzamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-3-bromo-2-methylbenzamide;hydrochloride (PubChem CID 119607831) has the molecular formula C14H22BrClN2O and a molecular weight of 349.70 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-bromo-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-bromo-2-methylbenzamide;hydrochloride
PubChem CID119607831
Molecular FormulaC14H22BrClN2O
Molecular Weight349.70 g/mol
Exact Mass348.06
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-bromo-2-methylbenzamide;hydrochloride
SMILESCc1c(Br)cccc1C(=O)NC(C)(CN)C(C)C.Cl
InChIInChI=1S/C14H21BrN2O.ClH/c1-9(2)14(4,8-16)17-13(18)11-6-5-7-12(15)10(11)3;/h5-7,9H,8,16H2,1-4H3,(H,17,18);1H
InChIKeyBVYVNEUHMXXZQE-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.70
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-3-bromo-2-methylbenzamide
CID 81485460
2-amino-N-(1-amino-2,3-dimethylbutan-2-yl)-3-nitrobenzamide;hydrochloride
CID 119606725
2-[(3-bromo-2-methylbenzoyl)amino]-2-methylbutanoic acid
CID 79792649
N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 119608616
3-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbenzamide
CID 114008477
N-(1-amino-2,3-dimethylbutan-2-yl)-2,5-dimethylbenzamide
CID 81485961
N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-chlorobenzamide
CID 81487258
N-(1-amino-2,3-dimethylbutan-2-yl)-5-chloro-2-methylbenzamide
CID 82882950
3-bromo-2-methyl-N-propan-2-yloxybenzamide
CID 131020955
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenylacetamide;hydrochloride
CID 119608428
3-bromo-2-methyl-N-(2-methylpropoxy)benzamide
CID 115409669
3-bromo-N-[3-(bromomethyl)pentan-3-yl]-2-methylbenzamide
CID 113275775

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-bromo-2-methylbenzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-bromo-2-methylbenzamide;hydrochloride (CID 119607831) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-bromo-2-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-bromo-2-methylbenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-bromo-2-methylbenzamide;hydrochloride is Cc1c(Br)cccc1C(=O)NC(C)(CN)C(C)C.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-bromo-2-methylbenzamide;hydrochloride?
The InChIKey is BVYVNEUHMXXZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O.ClH/c1-9(2)14(4,8-16)17-13(18)11-6-5-7-12(15)10(11)3;/h5-7,9H,8,16H2,1-4H3,(H,17,18);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-bromo-2-methylbenzamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-bromo-2-methylbenzamide;hydrochloride has a molecular weight of 349.70 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3-bromo-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 119607831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).