2-amino-N-(5-bromo-2-morpholin-4-ylphenyl)propanamide;dihydrochloride

C13H20BrCl2N3O2 — CID 119833777

IUPAC2-amino-N-(5-bromo-2-morpholin-4-ylphenyl)propanamide;dihydrochloride
SMILESCC(N)C(=O)Nc1cc(Br)ccc1N1CCOCC1.Cl.Cl
InChIInChI=1S/C13H18BrN3O2.2ClH/c1-9(15)13(18)16-11-8-10(14)2-3-12(11)17-4-6-19-7-5-17;;/h2-3,8-9H,4-7,15H2,1H3,(H,16,18);2*1H
InChIKeyNUOPZWUWWVEEQT-UHFFFAOYSA-N
MW401.13 g/mol
LogP2.41
Rot. Bonds3

About 2-amino-N-(5-bromo-2-morpholin-4-ylphenyl)propanamide;dihydrochloride

2-amino-N-(5-bromo-2-morpholin-4-ylphenyl)propanamide;dihydrochloride (PubChem CID 119833777) has the molecular formula C13H20BrCl2N3O2 and a molecular weight of 401.13 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-2-morpholin-4-ylphenyl)propanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-(5-bromo-2-morpholin-4-ylphenyl)propanamide;dihydrochloride
PubChem CID119833777
Molecular FormulaC13H20BrCl2N3O2
Molecular Weight401.13 g/mol
Exact Mass399.01
IUPAC Name2-amino-N-(5-bromo-2-morpholin-4-ylphenyl)propanamide;dihydrochloride
SMILESCC(N)C(=O)Nc1cc(Br)ccc1N1CCOCC1.Cl.Cl
InChIInChI=1S/C13H18BrN3O2.2ClH/c1-9(15)13(18)16-11-8-10(14)2-3-12(11)17-4-6-19-7-5-17;;/h2-3,8-9H,4-7,15H2,1H3,(H,16,18);2*1H
InChIKeyNUOPZWUWWVEEQT-UHFFFAOYSA-N
XLogP2.41
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.13
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-morpholin-4-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 55363833
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 86885690
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(methylamino)acetamide
CID 119833776
N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide
CID 47109483
N-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide
CID 86797592
N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 55363665
2-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride
CID 119279910
N-(5-bromo-2-morpholin-4-ylphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 55363787
(2S,4S)-N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120640206
3-amino-N-(5-bromo-2-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119833773
N-(5-bromo-2-morpholin-4-ylphenyl)-2,4-difluorobenzamide
CID 51182017
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(4-fluorophenyl)acetamide
CID 55363743

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-2-morpholin-4-ylphenyl)propanamide;dihydrochloride?
The IUPAC name of 2-amino-N-(5-bromo-2-morpholin-4-ylphenyl)propanamide;dihydrochloride (CID 119833777) is 2-amino-N-(5-bromo-2-morpholin-4-ylphenyl)propanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-(5-bromo-2-morpholin-4-ylphenyl)propanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-(5-bromo-2-morpholin-4-ylphenyl)propanamide;dihydrochloride is CC(N)C(=O)Nc1cc(Br)ccc1N1CCOCC1.Cl.Cl.
What is the InChIKey of 2-amino-N-(5-bromo-2-morpholin-4-ylphenyl)propanamide;dihydrochloride?
The InChIKey is NUOPZWUWWVEEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2.2ClH/c1-9(15)13(18)16-11-8-10(14)2-3-12(11)17-4-6-19-7-5-17;;/h2-3,8-9H,4-7,15H2,1H3,(H,16,18);2*1H.
What are the key properties of 2-amino-N-(5-bromo-2-morpholin-4-ylphenyl)propanamide;dihydrochloride?
2-amino-N-(5-bromo-2-morpholin-4-ylphenyl)propanamide;dihydrochloride has a molecular weight of 401.13 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromo-2-morpholin-4-ylphenyl)propanamide;dihydrochloride is sourced from PubChem (CID 119833777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).