2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride

C15H19BrClN3O3 — CID 120655070

IUPAC2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O.Cl
InChIInChI=1S/C15H18BrN3O3.ClH/c1-3-17-9(2)7-18-13(20)8-19-14(21)11-5-4-10(16)6-12(11)15(19)22;/h4-6,9,17H,3,7-8H2,1-2H3,(H,18,20);1H/t9-;/m1./s1
InChIKeyICNCDQPHSORVFS-SBSPUUFOSA-N
MW404.69 g/mol
LogP1.58
Rot. Bonds6

About 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride

2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride (PubChem CID 120655070) has the molecular formula C15H19BrClN3O3 and a molecular weight of 404.69 g/mol. Its IUPAC name is 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
PubChem CID120655070
Molecular FormulaC15H19BrClN3O3
Molecular Weight404.69 g/mol
Exact Mass403.03
IUPAC Name2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O.Cl
InChIInChI=1S/C15H18BrN3O3.ClH/c1-3-17-9(2)7-18-13(20)8-19-14(21)11-5-4-10(16)6-12(11)15(19)22;/h4-6,9,17H,3,7-8H2,1-2H3,(H,18,20);1H/t9-;/m1./s1
InChIKeyICNCDQPHSORVFS-SBSPUUFOSA-N
XLogP1.58
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.69
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 27539267
2-methylpropyl N-[2-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]carbamate
CID 108574033
2-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylpentanoic acid
CID 119188059
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-tert-butylacetamide
CID 86978677
N-[2-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-3-methoxypropanamide
CID 108542690
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)acetamide
CID 110839260
5-bromo-2-(2-oxopropyl)isoindole-1,3-dione
CID 71186577
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
CID 30426466
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 113201438
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 30425605
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 2787083
N-(3-amino-2-methylpropyl)-4-(5-bromo-1,3-dioxoisoindol-2-yl)butanamide
CID 119998242

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride?
The IUPAC name of 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride (CID 120655070) is 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride is CCN[C@H](C)CNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O.Cl.
What is the InChIKey of 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride?
The InChIKey is ICNCDQPHSORVFS-SBSPUUFOSA-N. The full InChI is InChI=1S/C15H18BrN3O3.ClH/c1-3-17-9(2)7-18-13(20)8-19-14(21)11-5-4-10(16)6-12(11)15(19)22;/h4-6,9,17H,3,7-8H2,1-2H3,(H,18,20);1H/t9-;/m1./s1.
What are the key properties of 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride?
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride has a molecular weight of 404.69 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride is sourced from PubChem (CID 120655070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).