CID 89150542

C20H24BFN2O — CID 89150542

IUPAC—
SMILES[B]c1cc(F)cc2c1c(C(=O)NCC13CCC(CC1)CC3)cn2CC
InChIInChI=1S/C20H24BFN2O/c1-2-24-11-15(18-16(21)9-14(22)10-17(18)24)19(25)23-12-20-6-3-13(4-7-20)5-8-20/h9-11,13H,2-8,12H2,1H3,(H,23,25)
InChIKeyTUQSLQOFNFAULG-UHFFFAOYSA-N
MW338.24 g/mol
LogP3.29
Rot. Bonds4

About CID 89150542

CID 89150542 (PubChem CID 89150542) has the molecular formula C20H24BFN2O and a molecular weight of 338.24 g/mol.

Molecular Properties

Compound NameCID 89150542
PubChem CID89150542
Molecular FormulaC20H24BFN2O
Molecular Weight338.24 g/mol
Exact Mass338.20
IUPAC Name—
SMILES[B]c1cc(F)cc2c1c(C(=O)NCC13CCC(CC1)CC3)cn2CC
InChIInChI=1S/C20H24BFN2O/c1-2-24-11-15(18-16(21)9-14(22)10-17(18)24)19(25)23-12-20-6-3-13(4-7-20)5-8-20/h9-11,13H,2-8,12H2,1H3,(H,23,25)
InChIKeyTUQSLQOFNFAULG-UHFFFAOYSA-N
XLogP3.29
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 89150542 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 89150542?
The IUPAC name of CID 89150542 (CID 89150542) is not available.
What is the SMILES notation for CID 89150542?
The canonical SMILES for CID 89150542 is [B]c1cc(F)cc2c1c(C(=O)NCC13CCC(CC1)CC3)cn2CC.
What is the InChIKey of CID 89150542?
The InChIKey is TUQSLQOFNFAULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BFN2O/c1-2-24-11-15(18-16(21)9-14(22)10-17(18)24)19(25)23-12-20-6-3-13(4-7-20)5-8-20/h9-11,13H,2-8,12H2,1H3,(H,23,25).
What are the key properties of CID 89150542?
CID 89150542 has a molecular weight of 338.24 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89150542 is sourced from PubChem (CID 89150542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).