3-(3-chlorophenyl)iminoisoindol-1-amine

C14H10ClN3 — CID 705547

IUPAC3-(3-chlorophenyl)iminoisoindol-1-amine
SMILESNC1=N/C(=N\c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C14H10ClN3/c15-9-4-3-5-10(8-9)17-14-12-7-2-1-6-11(12)13(16)18-14/h1-8H,(H2,16,17,18)
InChIKeyPNJXYMQKYORAQQ-UHFFFAOYSA-N
MW255.71 g/mol
LogP3.14
Rot. Bonds1

About 3-(3-chlorophenyl)iminoisoindol-1-amine

3-(3-chlorophenyl)iminoisoindol-1-amine (PubChem CID 705547) has the molecular formula C14H10ClN3 and a molecular weight of 255.71 g/mol. Its IUPAC name is 3-(3-chlorophenyl)iminoisoindol-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)iminoisoindol-1-amine
PubChem CID705547
Molecular FormulaC14H10ClN3
Molecular Weight255.71 g/mol
Exact Mass255.06
IUPAC Name3-(3-chlorophenyl)iminoisoindol-1-amine
SMILESNC1=N/C(=N\c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C14H10ClN3/c15-9-4-3-5-10(8-9)17-14-12-7-2-1-6-11(12)13(16)18-14/h1-8H,(H2,16,17,18)
InChIKeyPNJXYMQKYORAQQ-UHFFFAOYSA-N
XLogP3.14
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)iminoisoindol-1-amine?
The IUPAC name of 3-(3-chlorophenyl)iminoisoindol-1-amine (CID 705547) is 3-(3-chlorophenyl)iminoisoindol-1-amine.
What is the SMILES notation for 3-(3-chlorophenyl)iminoisoindol-1-amine?
The canonical SMILES for 3-(3-chlorophenyl)iminoisoindol-1-amine is NC1=N/C(=N\c2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of 3-(3-chlorophenyl)iminoisoindol-1-amine?
The InChIKey is PNJXYMQKYORAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3/c15-9-4-3-5-10(8-9)17-14-12-7-2-1-6-11(12)13(16)18-14/h1-8H,(H2,16,17,18).
What are the key properties of 3-(3-chlorophenyl)iminoisoindol-1-amine?
3-(3-chlorophenyl)iminoisoindol-1-amine has a molecular weight of 255.71 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)iminoisoindol-1-amine is sourced from PubChem (CID 705547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).