N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride

C14H22BrClN2O — CID 119658345

IUPACN-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1ccccc1Br.Cl
InChIInChI=1S/C14H21BrN2O.ClH/c1-10(2)13(16)8-9-17(3)14(18)11-6-4-5-7-12(11)15;/h4-7,10,13H,8-9,16H2,1-3H3;1H
InChIKeyYVAPASHKCOGSPZ-UHFFFAOYSA-N
MW349.70 g/mol
LogP3.32
Rot. Bonds5

About N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride

N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride (PubChem CID 119658345) has the molecular formula C14H22BrClN2O and a molecular weight of 349.70 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride
PubChem CID119658345
Molecular FormulaC14H22BrClN2O
Molecular Weight349.70 g/mol
Exact Mass348.06
IUPAC NameN-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1ccccc1Br.Cl
InChIInChI=1S/C14H21BrN2O.ClH/c1-10(2)13(16)8-9-17(3)14(18)11-6-4-5-7-12(11)15;/h4-7,10,13H,8-9,16H2,1-3H3;1H
InChIKeyYVAPASHKCOGSPZ-UHFFFAOYSA-N
XLogP3.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.70
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride
CID 119658400
2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 119657379
N-(3-amino-4-methylpentyl)-2-bromo-N,5-dimethylbenzamide
CID 115317454
N-(3-amino-4-methylpentyl)-2-iodo-N,3-dimethylbenzamide;hydrochloride
CID 119658549
N-(3-amino-4-methylpentyl)-2-benzyl-N-methylbenzamide
CID 119659415
N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride
CID 119657352
N-(3-amino-4-methylpentyl)-2-benzamido-N-methylbenzamide;hydrochloride
CID 119659612
N-(3-amino-4-methylpentyl)-3-bromo-N-methylfuran-2-carboxamide
CID 119659763
2-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N-butyl-N-methylbenzamide;hydrochloride
CID 119992074
N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride
CID 119658393
N-(3-amino-4-methylpentyl)-N-methyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 119657829
N-[(3S)-3-amino-4-methylpentyl]-6-fluoro-N-methylnaphthalene-1-carboxamide;hydrochloride
CID 170898691

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride (CID 119658345) is N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)c1ccccc1Br.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride?
The InChIKey is YVAPASHKCOGSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O.ClH/c1-10(2)13(16)8-9-17(3)14(18)11-6-4-5-7-12(11)15;/h4-7,10,13H,8-9,16H2,1-3H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride?
N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride has a molecular weight of 349.70 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119658345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).