benzyl-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]-methylazanium

C17H15Cl2N2O2+ — CID 7911038

IUPACbenzyl-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]-methylazanium
SMILESC[NH+](Cc1ccccc1)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C17H14Cl2N2O2/c1-20(9-11-5-3-2-4-6-11)10-21-16(22)12-7-14(18)15(19)8-13(12)17(21)23/h2-8H,9-10H2,1H3/p+1
InChIKeyKHWQKNDBUCHDRQ-UHFFFAOYSA-O
MW350.23 g/mol
LogP2.26
Rot. Bonds4

About benzyl-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]-methylazanium

benzyl-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]-methylazanium (PubChem CID 7911038) has the molecular formula C17H15Cl2N2O2+ and a molecular weight of 350.23 g/mol. Its IUPAC name is benzyl-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]-methylazanium.

Molecular Properties

Compound Namebenzyl-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]-methylazanium
PubChem CID7911038
Molecular FormulaC17H15Cl2N2O2+
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Namebenzyl-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]-methylazanium
SMILESC[NH+](Cc1ccccc1)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C17H14Cl2N2O2/c1-20(9-11-5-3-2-4-6-11)10-21-16(22)12-7-14(18)15(19)8-13(12)17(21)23/h2-8H,9-10H2,1H3/p+1
InChIKeyKHWQKNDBUCHDRQ-UHFFFAOYSA-O
XLogP2.26
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze benzyl-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl-methyl-[(2-oxobenzo[cd]indol-1-yl)methyl]azanium
CID 9169350
5,6-dichloro-2-[(dibenzylamino)methyl]isoindole-1,3-dione
CID 563253
(5-chlorothiophen-2-yl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium
CID 9171711
N-benzyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 2708411
(3-chlorophenyl)methyl-methyl-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]azanium
CID 7480340
(2,4-dimethylphenyl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium
CID 9279981
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
CID 2708445
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2708425
2-benzyl-5,6-dimethoxyisoindole-1,3-dione
CID 91665603
N-(2-benzylphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 2708377
(4-chlorophenyl)methyl-methyl-[[3-(4-methylphenyl)-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium
CID 9279246
5,6-dichloro-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]isoindole-1,3-dione
CID 40598633

Frequently Asked Questions

What is the IUPAC name of benzyl-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]-methylazanium?
The IUPAC name of benzyl-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]-methylazanium (CID 7911038) is benzyl-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]-methylazanium.
What is the SMILES notation for benzyl-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]-methylazanium?
The canonical SMILES for benzyl-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]-methylazanium is C[NH+](Cc1ccccc1)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O.
What is the InChIKey of benzyl-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]-methylazanium?
The InChIKey is KHWQKNDBUCHDRQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H14Cl2N2O2/c1-20(9-11-5-3-2-4-6-11)10-21-16(22)12-7-14(18)15(19)8-13(12)17(21)23/h2-8H,9-10H2,1H3/p+1.
What are the key properties of benzyl-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]-methylazanium?
benzyl-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]-methylazanium has a molecular weight of 350.23 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]-methylazanium is sourced from PubChem (CID 7911038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).