CID 101106200

C26H28Cl2NO — CID 101106200

IUPAC—
SMILESCC(C)(C)O[N]c1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)cc1C(C)(C)C
InChIInChI=1S/C26H28Cl2NO/c1-25(2,3)23-16-19(17-7-11-20(27)12-8-17)15-22(18-9-13-21(28)14-10-18)24(23)29-30-26(4,5)6/h7-16H,1-6H3
InChIKeyKWDAESBIPPBKMV-UHFFFAOYSA-N
MW441.42 g/mol
LogP8.59
Rot. Bonds4

About CID 101106200

CID 101106200 (PubChem CID 101106200) has the molecular formula C26H28Cl2NO and a molecular weight of 441.42 g/mol.

Molecular Properties

Compound NameCID 101106200
PubChem CID101106200
Molecular FormulaC26H28Cl2NO
Molecular Weight441.42 g/mol
Exact Mass440.15
IUPAC Name—
SMILESCC(C)(C)O[N]c1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)cc1C(C)(C)C
InChIInChI=1S/C26H28Cl2NO/c1-25(2,3)23-16-19(17-7-11-20(27)12-8-17)15-22(18-9-13-21(28)14-10-18)24(23)29-30-26(4,5)6/h7-16H,1-6H3
InChIKeyKWDAESBIPPBKMV-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 101106200?
The IUPAC name of CID 101106200 (CID 101106200) is not available.
What is the SMILES notation for CID 101106200?
The canonical SMILES for CID 101106200 is CC(C)(C)O[N]c1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)cc1C(C)(C)C.
What is the InChIKey of CID 101106200?
The InChIKey is KWDAESBIPPBKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2NO/c1-25(2,3)23-16-19(17-7-11-20(27)12-8-17)15-22(18-9-13-21(28)14-10-18)24(23)29-30-26(4,5)6/h7-16H,1-6H3.
What are the key properties of CID 101106200?
CID 101106200 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 101106200 is sourced from PubChem (CID 101106200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).