N-(4-bromo-2-ethylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride

C13H20BrClN2O — CID 119727073

IUPACN-(4-bromo-2-ethylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCCc1cc(Br)ccc1NC(=O)C(C)CNC.Cl
InChIInChI=1S/C13H19BrN2O.ClH/c1-4-10-7-11(14)5-6-12(10)16-13(17)9(2)8-15-3;/h5-7,9,15H,4,8H2,1-3H3,(H,16,17);1H
InChIKeyLRQSZFLRONRWDV-UHFFFAOYSA-N
MW335.67 g/mol
LogP3.23
Rot. Bonds5

About N-(4-bromo-2-ethylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride

N-(4-bromo-2-ethylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119727073) has the molecular formula C13H20BrClN2O and a molecular weight of 335.67 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119727073
Molecular FormulaC13H20BrClN2O
Molecular Weight335.67 g/mol
Exact Mass334.04
IUPAC NameN-(4-bromo-2-ethylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCCc1cc(Br)ccc1NC(=O)C(C)CNC.Cl
InChIInChI=1S/C13H19BrN2O.ClH/c1-4-10-7-11(14)5-6-12(10)16-13(17)9(2)8-15-3;/h5-7,9,15H,4,8H2,1-3H3,(H,16,17);1H
InChIKeyLRQSZFLRONRWDV-UHFFFAOYSA-N
XLogP3.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.67
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-chlorophenyl)-2-methyl-3-(methylamino)propanamide
CID 79196244
N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79196694
(2S)-2-amino-N-(4-bromo-2-ethylphenyl)butanamide;hydrochloride
CID 119291319
2-amino-N-(4-bromo-2-ethylphenyl)acetamide;hydrochloride
CID 119291314
2-(aminomethyl)-N-(4-bromo-2-ethylphenyl)pentanamide
CID 81292193
N-(4-bromo-2-ethylphenyl)-2-cyanopentanamide
CID 81292095
N-(4-bromo-2-fluorophenyl)-2-methylbutanamide
CID 4635921
1-(4-bromo-2-ethylphenyl)-3-propylurea
CID 6467713
N-(4-bromo-2-ethylphenyl)-1-(methylamino)propane-2-sulfonamide
CID 114141749
N-(4-bromo-2-ethylphenyl)-2-pyrazol-1-ylpropanamide
CID 81004249
N-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide
CID 81289356
N-(4-bromo-2,3-dichlorophenyl)-2-methyl-3-(methylamino)propanamide
CID 114001833

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119727073) is N-(4-bromo-2-ethylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride is CCc1cc(Br)ccc1NC(=O)C(C)CNC.Cl.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is LRQSZFLRONRWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O.ClH/c1-4-10-7-11(14)5-6-12(10)16-13(17)9(2)8-15-3;/h5-7,9,15H,4,8H2,1-3H3,(H,16,17);1H.
What are the key properties of N-(4-bromo-2-ethylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-(4-bromo-2-ethylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 335.67 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119727073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).