CID 110211750

C23H24FN3O3 — CID 110211750

IUPAC—
SMILESO=C1NC2(COC3(CCN(C(=O)Cc4ccc(F)cc4)CC3)C2)Nc2ccccc21
InChIInChI=1S/C23H24FN3O3/c24-17-7-5-16(6-8-17)13-20(28)27-11-9-22(10-12-27)14-23(15-30-22)25-19-4-2-1-3-18(19)21(29)26-23/h1-8,25H,9-15H2,(H,26,29)
InChIKeyBBXXHQLMWAGRRA-UHFFFAOYSA-N
MW409.46 g/mol
LogP2.70
Rot. Bonds2

About CID 110211750

CID 110211750 (PubChem CID 110211750) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol.

Molecular Properties

Compound NameCID 110211750
PubChem CID110211750
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name—
SMILESO=C1NC2(COC3(CCN(C(=O)Cc4ccc(F)cc4)CC3)C2)Nc2ccccc21
InChIInChI=1S/C23H24FN3O3/c24-17-7-5-16(6-8-17)13-20(28)27-11-9-22(10-12-27)14-23(15-30-22)25-19-4-2-1-3-18(19)21(29)26-23/h1-8,25H,9-15H2,(H,26,29)
InChIKeyBBXXHQLMWAGRRA-UHFFFAOYSA-N
XLogP2.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 110211750?
The IUPAC name of CID 110211750 (CID 110211750) is not available.
What is the SMILES notation for CID 110211750?
The canonical SMILES for CID 110211750 is O=C1NC2(COC3(CCN(C(=O)Cc4ccc(F)cc4)CC3)C2)Nc2ccccc21.
What is the InChIKey of CID 110211750?
The InChIKey is BBXXHQLMWAGRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c24-17-7-5-16(6-8-17)13-20(28)27-11-9-22(10-12-27)14-23(15-30-22)25-19-4-2-1-3-18(19)21(29)26-23/h1-8,25H,9-15H2,(H,26,29).
What are the key properties of CID 110211750?
CID 110211750 has a molecular weight of 409.46 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 110211750 is sourced from PubChem (CID 110211750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).