4-N-(4-chlorophenyl)-2-N-phenylpentane-2,4-diimine

C17H17ClN2 — CID 126613651

IUPAC4-N-(4-chlorophenyl)-2-N-phenylpentane-2,4-diimine
SMILESC/C(C/C(C)=N/c1ccc(Cl)cc1)=N\c1ccccc1
InChIInChI=1S/C17H17ClN2/c1-13(19-16-6-4-3-5-7-16)12-14(2)20-17-10-8-15(18)9-11-17/h3-11H,12H2,1-2H3/b19-13+,20-14+
InChIKeyXCWLRDQWQFTWFT-IWGRKNQJSA-N
MW284.79 g/mol
LogP5.62
Rot. Bonds4

About 4-N-(4-chlorophenyl)-2-N-phenylpentane-2,4-diimine

4-N-(4-chlorophenyl)-2-N-phenylpentane-2,4-diimine (PubChem CID 126613651) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-2-N-phenylpentane-2,4-diimine.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-2-N-phenylpentane-2,4-diimine
PubChem CID126613651
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name4-N-(4-chlorophenyl)-2-N-phenylpentane-2,4-diimine
SMILESC/C(C/C(C)=N/c1ccc(Cl)cc1)=N\c1ccccc1
InChIInChI=1S/C17H17ClN2/c1-13(19-16-6-4-3-5-7-16)12-14(2)20-17-10-8-15(18)9-11-17/h3-11H,12H2,1-2H3/b19-13+,20-14+
InChIKeyXCWLRDQWQFTWFT-IWGRKNQJSA-N
XLogP5.62
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.79
LogP ≤ 55.62
H-Bond Donors ≤ 50
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 4-N-(4-chlorophenyl)-2-N-phenylpentane-2,4-diimine?
The IUPAC name of 4-N-(4-chlorophenyl)-2-N-phenylpentane-2,4-diimine (CID 126613651) is 4-N-(4-chlorophenyl)-2-N-phenylpentane-2,4-diimine.
What is the SMILES notation for 4-N-(4-chlorophenyl)-2-N-phenylpentane-2,4-diimine?
The canonical SMILES for 4-N-(4-chlorophenyl)-2-N-phenylpentane-2,4-diimine is C/C(C/C(C)=N/c1ccc(Cl)cc1)=N\c1ccccc1.
What is the InChIKey of 4-N-(4-chlorophenyl)-2-N-phenylpentane-2,4-diimine?
The InChIKey is XCWLRDQWQFTWFT-IWGRKNQJSA-N. The full InChI is InChI=1S/C17H17ClN2/c1-13(19-16-6-4-3-5-7-16)12-14(2)20-17-10-8-15(18)9-11-17/h3-11H,12H2,1-2H3/b19-13+,20-14+.
What are the key properties of 4-N-(4-chlorophenyl)-2-N-phenylpentane-2,4-diimine?
4-N-(4-chlorophenyl)-2-N-phenylpentane-2,4-diimine has a molecular weight of 284.79 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-2-N-phenylpentane-2,4-diimine is sourced from PubChem (CID 126613651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).