4-(4-methyl-1,3-dioxoisoindol-2-yl)benzenecarboximidamide;hydrochloride

C16H14ClN3O2 — CID 53392693

IUPAC4-(4-methyl-1,3-dioxoisoindol-2-yl)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(N2C(=O)c3cccc(C)c3C2=O)cc1
InChIInChI=1S/C16H13N3O2.ClH/c1-9-3-2-4-12-13(9)16(21)19(15(12)20)11-7-5-10(6-8-11)14(17)18;/h2-8H,1H3,(H3,17,18);1H
InChIKeyRAMZBLIVAVVELY-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.50
Rot. Bonds2

About 4-(4-methyl-1,3-dioxoisoindol-2-yl)benzenecarboximidamide;hydrochloride

4-(4-methyl-1,3-dioxoisoindol-2-yl)benzenecarboximidamide;hydrochloride (PubChem CID 53392693) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 4-(4-methyl-1,3-dioxoisoindol-2-yl)benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-(4-methyl-1,3-dioxoisoindol-2-yl)benzenecarboximidamide;hydrochloride
PubChem CID53392693
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name4-(4-methyl-1,3-dioxoisoindol-2-yl)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(N2C(=O)c3cccc(C)c3C2=O)cc1
InChIInChI=1S/C16H13N3O2.ClH/c1-9-3-2-4-12-13(9)16(21)19(15(12)20)11-7-5-10(6-8-11)14(17)18;/h2-8H,1H3,(H3,17,18);1H
InChIKeyRAMZBLIVAVVELY-UHFFFAOYSA-N
XLogP2.50
TPSA87.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,3-dioxoisoindol-2-yl)benzenecarboximidamide;hydrochloride?
The IUPAC name of 4-(4-methyl-1,3-dioxoisoindol-2-yl)benzenecarboximidamide;hydrochloride (CID 53392693) is 4-(4-methyl-1,3-dioxoisoindol-2-yl)benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-(4-methyl-1,3-dioxoisoindol-2-yl)benzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-(4-methyl-1,3-dioxoisoindol-2-yl)benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(N2C(=O)c3cccc(C)c3C2=O)cc1.
What is the InChIKey of 4-(4-methyl-1,3-dioxoisoindol-2-yl)benzenecarboximidamide;hydrochloride?
The InChIKey is RAMZBLIVAVVELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2.ClH/c1-9-3-2-4-12-13(9)16(21)19(15(12)20)11-7-5-10(6-8-11)14(17)18;/h2-8H,1H3,(H3,17,18);1H.
What are the key properties of 4-(4-methyl-1,3-dioxoisoindol-2-yl)benzenecarboximidamide;hydrochloride?
4-(4-methyl-1,3-dioxoisoindol-2-yl)benzenecarboximidamide;hydrochloride has a molecular weight of 315.76 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,3-dioxoisoindol-2-yl)benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 53392693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).