3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride

C11H15BrClFN2O — CID 119312630

IUPAC3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
SMILESCN(Cc1cc(Br)ccc1F)C(=O)CCN.Cl
InChIInChI=1S/C11H14BrFN2O.ClH/c1-15(11(16)4-5-14)7-8-6-9(12)2-3-10(8)13;/h2-3,6H,4-5,7,14H2,1H3;1H
InChIKeyZRNMUNHWKUYYLY-UHFFFAOYSA-N
MW325.61 g/mol
LogP2.32
Rot. Bonds4

About 3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride

3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride (PubChem CID 119312630) has the molecular formula C11H15BrClFN2O and a molecular weight of 325.61 g/mol. Its IUPAC name is 3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
PubChem CID119312630
Molecular FormulaC11H15BrClFN2O
Molecular Weight325.61 g/mol
Exact Mass324.00
IUPAC Name3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
SMILESCN(Cc1cc(Br)ccc1F)C(=O)CCN.Cl
InChIInChI=1S/C11H14BrFN2O.ClH/c1-15(11(16)4-5-14)7-8-6-9(12)2-3-10(8)13;/h2-3,6H,4-5,7,14H2,1H3;1H
InChIKeyZRNMUNHWKUYYLY-UHFFFAOYSA-N
XLogP2.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.61
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267680
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 115154702
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 115155762
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylbutanamide
CID 115154295
2-amino-4-[(5-bromo-2-fluorophenyl)methyl-methylamino]-4-oxobutanoic acid
CID 115181116
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005406
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115180686
2-(3-bromo-4-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylacetamide
CID 55885893
3-(benzenesulfonamido)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide
CID 55580381
N-[(5-bromo-2-fluorophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide
CID 55580584
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 55580900
N-[(5-bromo-2-fluorophenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide
CID 115178878

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride (CID 119312630) is 3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride is CN(Cc1cc(Br)ccc1F)C(=O)CCN.Cl.
What is the InChIKey of 3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride?
The InChIKey is ZRNMUNHWKUYYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O.ClH/c1-15(11(16)4-5-14)7-8-6-9(12)2-3-10(8)13;/h2-3,6H,4-5,7,14H2,1H3;1H.
What are the key properties of 3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride?
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride has a molecular weight of 325.61 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 119312630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).