CID 155780788

C21H23BN2O — CID 155780788

IUPAC—
SMILES[B]c1ccc(C(=O)Nc2cccc(C)c2)c(N2CCC3(CC2)CC3)c1
InChIInChI=1S/C21H23BN2O/c1-15-3-2-4-17(13-15)23-20(25)18-6-5-16(22)14-19(18)24-11-9-21(7-8-21)10-12-24/h2-6,13-14H,7-12H2,1H3,(H,23,25)
InChIKeySXRFBLDZXUMSRW-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.42
Rot. Bonds3

About CID 155780788

CID 155780788 (PubChem CID 155780788) has the molecular formula C21H23BN2O and a molecular weight of 330.24 g/mol.

Molecular Properties

Compound NameCID 155780788
PubChem CID155780788
Molecular FormulaC21H23BN2O
Molecular Weight330.24 g/mol
Exact Mass330.19
IUPAC Name—
SMILES[B]c1ccc(C(=O)Nc2cccc(C)c2)c(N2CCC3(CC2)CC3)c1
InChIInChI=1S/C21H23BN2O/c1-15-3-2-4-17(13-15)23-20(25)18-6-5-16(22)14-19(18)24-11-9-21(7-8-21)10-12-24/h2-6,13-14H,7-12H2,1H3,(H,23,25)
InChIKeySXRFBLDZXUMSRW-UHFFFAOYSA-N
XLogP3.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 155780788?
The IUPAC name of CID 155780788 (CID 155780788) is not available.
What is the SMILES notation for CID 155780788?
The canonical SMILES for CID 155780788 is [B]c1ccc(C(=O)Nc2cccc(C)c2)c(N2CCC3(CC2)CC3)c1.
What is the InChIKey of CID 155780788?
The InChIKey is SXRFBLDZXUMSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BN2O/c1-15-3-2-4-17(13-15)23-20(25)18-6-5-16(22)14-19(18)24-11-9-21(7-8-21)10-12-24/h2-6,13-14H,7-12H2,1H3,(H,23,25).
What are the key properties of CID 155780788?
CID 155780788 has a molecular weight of 330.24 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155780788 is sourced from PubChem (CID 155780788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).