1-(2,3-dichlorophenyl)-N-phenylmethanimine

C13H9Cl2N — CID 23340900

IUPAC1-(2,3-dichlorophenyl)-N-phenylmethanimine
SMILESClc1cccc(/C=N/c2ccccc2)c1Cl
InChIInChI=1S/C13H9Cl2N/c14-12-8-4-5-10(13(12)15)9-16-11-6-2-1-3-7-11/h1-9H/b16-9+
InChIKeyUVWZIICKRPYGFE-CXUHLZMHSA-N
MW250.13 g/mol
LogP4.74
Rot. Bonds2

About 1-(2,3-dichlorophenyl)-N-phenylmethanimine

1-(2,3-dichlorophenyl)-N-phenylmethanimine (PubChem CID 23340900) has the molecular formula C13H9Cl2N and a molecular weight of 250.13 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-phenylmethanimine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-phenylmethanimine
PubChem CID23340900
Molecular FormulaC13H9Cl2N
Molecular Weight250.13 g/mol
Exact Mass249.01
IUPAC Name1-(2,3-dichlorophenyl)-N-phenylmethanimine
SMILESClc1cccc(/C=N/c2ccccc2)c1Cl
InChIInChI=1S/C13H9Cl2N/c14-12-8-4-5-10(13(12)15)9-16-11-6-2-1-3-7-11/h1-9H/b16-9+
InChIKeyUVWZIICKRPYGFE-CXUHLZMHSA-N
XLogP4.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-(2,3-dichlorophenyl)-N-phenylmethanimine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-phenylmethanimine (CID 23340900) is 1-(2,3-dichlorophenyl)-N-phenylmethanimine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-phenylmethanimine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-phenylmethanimine is Clc1cccc(/C=N/c2ccccc2)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-phenylmethanimine?
The InChIKey is UVWZIICKRPYGFE-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H9Cl2N/c14-12-8-4-5-10(13(12)15)9-16-11-6-2-1-3-7-11/h1-9H/b16-9+.
What are the key properties of 1-(2,3-dichlorophenyl)-N-phenylmethanimine?
1-(2,3-dichlorophenyl)-N-phenylmethanimine has a molecular weight of 250.13 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-phenylmethanimine is sourced from PubChem (CID 23340900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).