N-(3-bromo-2-methylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride

C12H18BrClN2O — CID 119706176

IUPACN-(3-bromo-2-methylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1cccc(Br)c1C.Cl
InChIInChI=1S/C12H17BrN2O.ClH/c1-8(7-14-3)12(16)15-11-6-4-5-10(13)9(11)2;/h4-6,8,14H,7H2,1-3H3,(H,15,16);1H
InChIKeySNZOVVWVXBNJDM-UHFFFAOYSA-N
MW321.65 g/mol
LogP2.97
Rot. Bonds4

About N-(3-bromo-2-methylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride

N-(3-bromo-2-methylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119706176) has the molecular formula C12H18BrClN2O and a molecular weight of 321.65 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119706176
Molecular FormulaC12H18BrClN2O
Molecular Weight321.65 g/mol
Exact Mass320.03
IUPAC NameN-(3-bromo-2-methylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1cccc(Br)c1C.Cl
InChIInChI=1S/C12H17BrN2O.ClH/c1-8(7-14-3)12(16)15-11-6-4-5-10(13)9(11)2;/h4-6,8,14H,7H2,1-3H3,(H,15,16);1H
InChIKeySNZOVVWVXBNJDM-UHFFFAOYSA-N
XLogP2.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.65
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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6-amino-N-(3-bromo-2-methylphenyl)-2-methylheptanamide
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methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoate
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N-(3-bromo-2-methylphenyl)-2-phenylpropanamide
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(2S)-2-amino-N-(3-bromo-2-methylphenyl)-3-methylpentanamide
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2-methyl-3-(methylamino)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
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2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide;hydrochloride
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N-(3-bromo-2-methylphenyl)-2-(propan-2-ylamino)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-(3-bromo-2-methylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119706176) is N-(3-bromo-2-methylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)Nc1cccc(Br)c1C.Cl.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is SNZOVVWVXBNJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O.ClH/c1-8(7-14-3)12(16)15-11-6-4-5-10(13)9(11)2;/h4-6,8,14H,7H2,1-3H3,(H,15,16);1H.
What are the key properties of N-(3-bromo-2-methylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-(3-bromo-2-methylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 321.65 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119706176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).