2-(5-chloro-2-methoxyphenyl)-3H-isoindol-1-imine

C15H13ClN2O — CID 2981571

IUPAC2-(5-chloro-2-methoxyphenyl)-3H-isoindol-1-imine
SMILES[H]/N=C1\c2ccccc2CN1c1cc(Cl)ccc1OC
InChIInChI=1S/C15H13ClN2O/c1-19-14-7-6-11(16)8-13(14)18-9-10-4-2-3-5-12(10)15(18)17/h2-8,17H,9H2,1H3/b17-15+
InChIKeyXYYLJJSQUGVNDN-BMRADRMJSA-N
MW272.74 g/mol
LogP3.69
Rot. Bonds2

About 2-(5-chloro-2-methoxyphenyl)-3H-isoindol-1-imine

2-(5-chloro-2-methoxyphenyl)-3H-isoindol-1-imine (PubChem CID 2981571) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-3H-isoindol-1-imine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-3H-isoindol-1-imine
PubChem CID2981571
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name2-(5-chloro-2-methoxyphenyl)-3H-isoindol-1-imine
SMILES[H]/N=C1\c2ccccc2CN1c1cc(Cl)ccc1OC
InChIInChI=1S/C15H13ClN2O/c1-19-14-7-6-11(16)8-13(14)18-9-10-4-2-3-5-12(10)15(18)17/h2-8,17H,9H2,1H3/b17-15+
InChIKeyXYYLJJSQUGVNDN-BMRADRMJSA-N
XLogP3.69
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-chlorophenyl)-3H-isoindol-1-imine
CID 112724162
2-(4-fluoro-3-methoxyphenyl)-3H-isoindol-1-imine
CID 114840084
1-(5-chloro-2-methoxyphenyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol
CID 135527820
2-(4-chloro-2-methoxy-5-methylphenyl)-6-fluoro-3H-isoindol-1-imine
CID 63534774
2-(2-ethoxy-4-nitrophenyl)-3H-isoindol-1-imine;hydrobromide
CID 44790159
7-chloro-4-(2-methoxyphenyl)-5H-1,4-benzoxazepin-3-one
CID 53152730
2-(3-bromo-4-fluorophenyl)-3H-isoindol-1-imine
CID 104779801
1-(5-chloro-2-methoxyphenyl)-4-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-imino-2H-pyrrol-3-ol
CID 136725536
2-(2,4-dichlorophenyl)-6-fluoro-3H-isoindol-1-imine
CID 63536797
methyl 4-(3-imino-1H-isoindol-2-yl)benzoate
CID 1211030
2-(3-fluoro-5-methylphenyl)-3H-isoindol-1-imine
CID 79049664
2-(4-chloro-3-methoxyphenyl)-6-fluoro-3H-isoindol-1-imine
CID 107622111

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-3H-isoindol-1-imine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-3H-isoindol-1-imine (CID 2981571) is 2-(5-chloro-2-methoxyphenyl)-3H-isoindol-1-imine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-3H-isoindol-1-imine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-3H-isoindol-1-imine is [H]/N=C1\c2ccccc2CN1c1cc(Cl)ccc1OC.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-3H-isoindol-1-imine?
The InChIKey is XYYLJJSQUGVNDN-BMRADRMJSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-19-14-7-6-11(16)8-13(14)18-9-10-4-2-3-5-12(10)15(18)17/h2-8,17H,9H2,1H3/b17-15+.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-3H-isoindol-1-imine?
2-(5-chloro-2-methoxyphenyl)-3H-isoindol-1-imine has a molecular weight of 272.74 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-3H-isoindol-1-imine is sourced from PubChem (CID 2981571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).