CID 102302265

C26H28Cl2NO — CID 102302265

IUPAC—
SMILESCC(C)(C)O[N]c1c(-c2ccc(Cl)cc2)cc(C(C)(C)C)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C26H28Cl2NO/c1-25(2,3)19-15-22(17-7-11-20(27)12-8-17)24(29-30-26(4,5)6)23(16-19)18-9-13-21(28)14-10-18/h7-16H,1-6H3
InChIKeyXKASKKCPSJGMSE-UHFFFAOYSA-N
MW441.42 g/mol
LogP8.59
Rot. Bonds4

About CID 102302265

CID 102302265 (PubChem CID 102302265) has the molecular formula C26H28Cl2NO and a molecular weight of 441.42 g/mol.

Molecular Properties

Compound NameCID 102302265
PubChem CID102302265
Molecular FormulaC26H28Cl2NO
Molecular Weight441.42 g/mol
Exact Mass440.15
IUPAC Name—
SMILESCC(C)(C)O[N]c1c(-c2ccc(Cl)cc2)cc(C(C)(C)C)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C26H28Cl2NO/c1-25(2,3)19-15-22(17-7-11-20(27)12-8-17)24(29-30-26(4,5)6)23(16-19)18-9-13-21(28)14-10-18/h7-16H,1-6H3
InChIKeyXKASKKCPSJGMSE-UHFFFAOYSA-N
XLogP8.59
TPSA23.33 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.42
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 102302265?
The IUPAC name of CID 102302265 (CID 102302265) is not available.
What is the SMILES notation for CID 102302265?
The canonical SMILES for CID 102302265 is CC(C)(C)O[N]c1c(-c2ccc(Cl)cc2)cc(C(C)(C)C)cc1-c1ccc(Cl)cc1.
What is the InChIKey of CID 102302265?
The InChIKey is XKASKKCPSJGMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2NO/c1-25(2,3)19-15-22(17-7-11-20(27)12-8-17)24(29-30-26(4,5)6)23(16-19)18-9-13-21(28)14-10-18/h7-16H,1-6H3.
What are the key properties of CID 102302265?
CID 102302265 has a molecular weight of 441.42 g/mol, XLogP of 8.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102302265 is sourced from PubChem (CID 102302265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).