CID 46854865

C23H22ClN3O3 — CID 46854865

IUPAC—
SMILESCN1C(=O)C[C@@]2(C1=O)[C@@H](c1ccc(Cl)cc1)CN(C)[C@@]21C(=O)N(C)c2ccccc21
InChIInChI=1S/C23H22ClN3O3/c1-25-13-17(14-8-10-15(24)11-9-14)22(12-19(28)27(3)20(22)29)23(25)16-6-4-5-7-18(16)26(2)21(23)30/h4-11,17H,12-13H2,1-3H3/t17-,22+,23+/m1/s1
InChIKeyWIYCPMNBCOSDEO-VSDWSMLSSA-N
MW423.90 g/mol
LogP2.62
Rot. Bonds1

About CID 46854865

CID 46854865 (PubChem CID 46854865) has the molecular formula C23H22ClN3O3 and a molecular weight of 423.90 g/mol.

Molecular Properties

Compound NameCID 46854865
PubChem CID46854865
Molecular FormulaC23H22ClN3O3
Molecular Weight423.90 g/mol
Exact Mass423.13
IUPAC Name—
SMILESCN1C(=O)C[C@@]2(C1=O)[C@@H](c1ccc(Cl)cc1)CN(C)[C@@]21C(=O)N(C)c2ccccc21
InChIInChI=1S/C23H22ClN3O3/c1-25-13-17(14-8-10-15(24)11-9-14)22(12-19(28)27(3)20(22)29)23(25)16-6-4-5-7-18(16)26(2)21(23)30/h4-11,17H,12-13H2,1-3H3/t17-,22+,23+/m1/s1
InChIKeyWIYCPMNBCOSDEO-VSDWSMLSSA-N
XLogP2.62
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 46854865?
The IUPAC name of CID 46854865 (CID 46854865) is not available.
What is the SMILES notation for CID 46854865?
The canonical SMILES for CID 46854865 is CN1C(=O)C[C@@]2(C1=O)[C@@H](c1ccc(Cl)cc1)CN(C)[C@@]21C(=O)N(C)c2ccccc21.
What is the InChIKey of CID 46854865?
The InChIKey is WIYCPMNBCOSDEO-VSDWSMLSSA-N. The full InChI is InChI=1S/C23H22ClN3O3/c1-25-13-17(14-8-10-15(24)11-9-14)22(12-19(28)27(3)20(22)29)23(25)16-6-4-5-7-18(16)26(2)21(23)30/h4-11,17H,12-13H2,1-3H3/t17-,22+,23+/m1/s1.
What are the key properties of CID 46854865?
CID 46854865 has a molecular weight of 423.90 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 46854865 is sourced from PubChem (CID 46854865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).