CID 110211858

C21H26ClN3O3 — CID 110211858

IUPAC—
SMILESO=C1NC2(COC3(CCN(C(=O)C4CCCC4)CC3)C2)Nc2ccc(Cl)cc21
InChIInChI=1S/C21H26ClN3O3/c22-15-5-6-17-16(11-15)18(26)24-21(23-17)12-20(28-13-21)7-9-25(10-8-20)19(27)14-3-1-2-4-14/h5-6,11,14,23H,1-4,7-10,12-13H2,(H,24,26)
InChIKeyZYWHRFYUYTYFKG-UHFFFAOYSA-N
MW403.91 g/mol
LogP3.16
Rot. Bonds1

About CID 110211858

CID 110211858 (PubChem CID 110211858) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol.

Molecular Properties

Compound NameCID 110211858
PubChem CID110211858
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC Name—
SMILESO=C1NC2(COC3(CCN(C(=O)C4CCCC4)CC3)C2)Nc2ccc(Cl)cc21
InChIInChI=1S/C21H26ClN3O3/c22-15-5-6-17-16(11-15)18(26)24-21(23-17)12-20(28-13-21)7-9-25(10-8-20)19(27)14-3-1-2-4-14/h5-6,11,14,23H,1-4,7-10,12-13H2,(H,24,26)
InChIKeyZYWHRFYUYTYFKG-UHFFFAOYSA-N
XLogP3.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 110211858?
The IUPAC name of CID 110211858 (CID 110211858) is not available.
What is the SMILES notation for CID 110211858?
The canonical SMILES for CID 110211858 is O=C1NC2(COC3(CCN(C(=O)C4CCCC4)CC3)C2)Nc2ccc(Cl)cc21.
What is the InChIKey of CID 110211858?
The InChIKey is ZYWHRFYUYTYFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3/c22-15-5-6-17-16(11-15)18(26)24-21(23-17)12-20(28-13-21)7-9-25(10-8-20)19(27)14-3-1-2-4-14/h5-6,11,14,23H,1-4,7-10,12-13H2,(H,24,26).
What are the key properties of CID 110211858?
CID 110211858 has a molecular weight of 403.91 g/mol, XLogP of 3.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 110211858 is sourced from PubChem (CID 110211858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).