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

C10H14BrClN2O — CID 119279910

IUPAC2-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride
SMILESCc1ccc(Br)cc1NC(=O)C(C)N.Cl
InChIInChI=1S/C10H13BrN2O.ClH/c1-6-3-4-8(11)5-9(6)13-10(14)7(2)12;/h3-5,7H,12H2,1-2H3,(H,13,14);1H
InChIKeyCCOCPZIWVWKZJK-UHFFFAOYSA-N
MW293.59 g/mol
LogP2.47
Rot. Bonds2

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

2-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride (PubChem CID 119279910) has the molecular formula C10H14BrClN2O and a molecular weight of 293.59 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride
PubChem CID119279910
Molecular FormulaC10H14BrClN2O
Molecular Weight293.59 g/mol
Exact Mass292.00
IUPAC Name2-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride
SMILESCc1ccc(Br)cc1NC(=O)C(C)N.Cl
InChIInChI=1S/C10H13BrN2O.ClH/c1-6-3-4-8(11)5-9(6)13-10(14)7(2)12;/h3-5,7H,12H2,1-2H3,(H,13,14);1H
InChIKeyCCOCPZIWVWKZJK-UHFFFAOYSA-N
XLogP2.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

2-amino-N-(5-bromo-2-methylphenyl)-3-methylbutanamide
CID 43712521
2-amino-N-(5-bromo-2-methylphenyl)-4-methylpentanamide
CID 43712543
2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide
CID 76887238
(2R)-2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide
CID 113353346
(2S,3S)-2-amino-N-(5-bromo-2-methylphenyl)-3-methylpentanamide
CID 61178087
(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)propanamide;hydrochloride
CID 119292528
3-amino-N-(5-bromo-2-methylphenyl)-2-hydroxypropanamide
CID 115180320
2-amino-N-(4-bromo-2-fluorophenyl)propanamide
CID 24708230
2-amino-N-(5-bromo-2-methylphenyl)hexanamide
CID 60854245
2-amino-N-(2-methylphenyl)propanamide;hydrochloride
CID 56832187
2-amino-N-(5-bromo-2-methylphenyl)-4-methylsulfonylbutanamide
CID 43712537
(2R)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide
CID 54995593

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride?
The IUPAC name of 2-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride (CID 119279910) is 2-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride is Cc1ccc(Br)cc1NC(=O)C(C)N.Cl.
What is the InChIKey of 2-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride?
The InChIKey is CCOCPZIWVWKZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O.ClH/c1-6-3-4-8(11)5-9(6)13-10(14)7(2)12;/h3-5,7H,12H2,1-2H3,(H,13,14);1H.
What are the key properties of 2-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride?
2-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride has a molecular weight of 293.59 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119279910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).