N-benzyl-3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-hydroxyethyl)propanamide

C20H19BrN2O4 — CID 78855130

IUPACN-benzyl-3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-hydroxyethyl)propanamide
SMILESO=C(CCN1C(=O)c2ccc(Br)cc2C1=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C20H19BrN2O4/c21-15-6-7-16-17(12-15)20(27)23(19(16)26)9-8-18(25)22(10-11-24)13-14-4-2-1-3-5-14/h1-7,12,24H,8-11,13H2
InChIKeyAJVOSOMFILJKHA-UHFFFAOYSA-N
MW431.29 g/mol
LogP2.46
Rot. Bonds7

About N-benzyl-3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-hydroxyethyl)propanamide

N-benzyl-3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-hydroxyethyl)propanamide (PubChem CID 78855130) has the molecular formula C20H19BrN2O4 and a molecular weight of 431.29 g/mol. Its IUPAC name is N-benzyl-3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-hydroxyethyl)propanamide
PubChem CID78855130
Molecular FormulaC20H19BrN2O4
Molecular Weight431.29 g/mol
Exact Mass430.05
IUPAC NameN-benzyl-3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-hydroxyethyl)propanamide
SMILESO=C(CCN1C(=O)c2ccc(Br)cc2C1=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C20H19BrN2O4/c21-15-6-7-16-17(12-15)20(27)23(19(16)26)9-8-18(25)22(10-11-24)13-14-4-2-1-3-5-14/h1-7,12,24H,8-11,13H2
InChIKeyAJVOSOMFILJKHA-UHFFFAOYSA-N
XLogP2.46
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(cyanomethyl)propanamide
CID 55865115
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N,N-diethylpropanamide
CID 78803351
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]propanamide
CID 55779716
N-[3-[benzyl(methyl)amino]propyl]-3-(5-bromo-1,3-dioxoisoindol-2-yl)propanamide
CID 41306817
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide
CID 55982842
N-benzyl-3-(5-bromo-1,3-dioxoisoindol-2-yl)propanamide
CID 30426434
N,N-dibenzyl-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 91963142
N-benzyl-N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 110888429
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide
CID 55377058
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)propanamide
CID 55900021
2-[4-(5-bromo-1,3-dioxoisoindol-2-yl)butanoyl-ethylamino]acetic acid
CID 119206431
N-benzyl-5-hydroxy-N-(2-hydroxyethyl)pentanamide
CID 79191990

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-hydroxyethyl)propanamide?
The IUPAC name of N-benzyl-3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-hydroxyethyl)propanamide (CID 78855130) is N-benzyl-3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for N-benzyl-3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for N-benzyl-3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-hydroxyethyl)propanamide is O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-hydroxyethyl)propanamide?
The InChIKey is AJVOSOMFILJKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O4/c21-15-6-7-16-17(12-15)20(27)23(19(16)26)9-8-18(25)22(10-11-24)13-14-4-2-1-3-5-14/h1-7,12,24H,8-11,13H2.
What are the key properties of N-benzyl-3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-hydroxyethyl)propanamide?
N-benzyl-3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-hydroxyethyl)propanamide has a molecular weight of 431.29 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 78855130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).