CID 110211837

C22H23F2N3O2 — CID 110211837

IUPAC—
SMILESO=C1NC2(COC3(CCN(Cc4c(F)cccc4F)CC3)C2)Nc2ccccc21
InChIInChI=1S/C22H23F2N3O2/c23-17-5-3-6-18(24)16(17)12-27-10-8-21(9-11-27)13-22(14-29-21)25-19-7-2-1-4-15(19)20(28)26-22/h1-7,25H,8-14H2,(H,26,28)
InChIKeySXNYDESKQAWFKX-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.27
Rot. Bonds2

About CID 110211837

CID 110211837 (PubChem CID 110211837) has the molecular formula C22H23F2N3O2 and a molecular weight of 399.44 g/mol.

Molecular Properties

Compound NameCID 110211837
PubChem CID110211837
Molecular FormulaC22H23F2N3O2
Molecular Weight399.44 g/mol
Exact Mass399.18
IUPAC Name—
SMILESO=C1NC2(COC3(CCN(Cc4c(F)cccc4F)CC3)C2)Nc2ccccc21
InChIInChI=1S/C22H23F2N3O2/c23-17-5-3-6-18(24)16(17)12-27-10-8-21(9-11-27)13-22(14-29-21)25-19-7-2-1-4-15(19)20(28)26-22/h1-7,25H,8-14H2,(H,26,28)
InChIKeySXNYDESKQAWFKX-UHFFFAOYSA-N
XLogP3.27
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 110211837?
The IUPAC name of CID 110211837 (CID 110211837) is not available.
What is the SMILES notation for CID 110211837?
The canonical SMILES for CID 110211837 is O=C1NC2(COC3(CCN(Cc4c(F)cccc4F)CC3)C2)Nc2ccccc21.
What is the InChIKey of CID 110211837?
The InChIKey is SXNYDESKQAWFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O2/c23-17-5-3-6-18(24)16(17)12-27-10-8-21(9-11-27)13-22(14-29-21)25-19-7-2-1-4-15(19)20(28)26-22/h1-7,25H,8-14H2,(H,26,28).
What are the key properties of CID 110211837?
CID 110211837 has a molecular weight of 399.44 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 110211837 is sourced from PubChem (CID 110211837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).