3-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride

C10H14BrClN2O — CID 47002738

IUPAC3-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride
SMILESCc1ccc(Br)cc1NC(=O)CCN.Cl
InChIInChI=1S/C10H13BrN2O.ClH/c1-7-2-3-8(11)6-9(7)13-10(14)4-5-12;/h2-3,6H,4-5,12H2,1H3,(H,13,14);1H
InChIKeyZQKWHOAZXXOQLE-UHFFFAOYSA-N
MW293.59 g/mol
LogP2.47
Rot. Bonds3

About 3-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride

3-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride (PubChem CID 47002738) has the molecular formula C10H14BrClN2O and a molecular weight of 293.59 g/mol. Its IUPAC name is 3-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride
PubChem CID47002738
Molecular FormulaC10H14BrClN2O
Molecular Weight293.59 g/mol
Exact Mass292.00
IUPAC Name3-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride
SMILESCc1ccc(Br)cc1NC(=O)CCN.Cl
InChIInChI=1S/C10H13BrN2O.ClH/c1-7-2-3-8(11)6-9(7)13-10(14)4-5-12;/h2-3,6H,4-5,12H2,1H3,(H,13,14);1H
InChIKeyZQKWHOAZXXOQLE-UHFFFAOYSA-N
XLogP2.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.59
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride (CID 47002738) is 3-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride is Cc1ccc(Br)cc1NC(=O)CCN.Cl.
What is the InChIKey of 3-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride?
The InChIKey is ZQKWHOAZXXOQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O.ClH/c1-7-2-3-8(11)6-9(7)13-10(14)4-5-12;/h2-3,6H,4-5,12H2,1H3,(H,13,14);1H.
What are the key properties of 3-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride?
3-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride has a molecular weight of 293.59 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 47002738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).