CID 67789515

C21H29ClNO3Si — CID 67789515

IUPAC—
SMILESC[Si](C)O[C@](C)([C@H]1C(=O)N[C@@H]1[C@@H]1CCc2ccc(Cl)cc2C1=O)C(C)(C)C
InChIInChI=1S/C21H29ClNO3Si/c1-20(2,3)21(4,26-27(5)6)16-17(23-19(16)25)14-10-8-12-7-9-13(22)11-15(12)18(14)24/h7,9,11,14,16-17H,8,10H2,1-6H3,(H,23,25)/t14-,16+,17+,21+/m0/s1
InChIKeyZASFXFMSKRANMY-CTRXZIQJSA-N
MW407.01 g/mol
LogP4.27
Rot. Bonds4

About CID 67789515

CID 67789515 (PubChem CID 67789515) has the molecular formula C21H29ClNO3Si and a molecular weight of 407.01 g/mol.

Molecular Properties

Compound NameCID 67789515
PubChem CID67789515
Molecular FormulaC21H29ClNO3Si
Molecular Weight407.01 g/mol
Exact Mass406.16
IUPAC Name—
SMILESC[Si](C)O[C@](C)([C@H]1C(=O)N[C@@H]1[C@@H]1CCc2ccc(Cl)cc2C1=O)C(C)(C)C
InChIInChI=1S/C21H29ClNO3Si/c1-20(2,3)21(4,26-27(5)6)16-17(23-19(16)25)14-10-8-12-7-9-13(22)11-15(12)18(14)24/h7,9,11,14,16-17H,8,10H2,1-6H3,(H,23,25)/t14-,16+,17+,21+/m0/s1
InChIKeyZASFXFMSKRANMY-CTRXZIQJSA-N
XLogP4.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.01
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 67789515?
The IUPAC name of CID 67789515 (CID 67789515) is not available.
What is the SMILES notation for CID 67789515?
The canonical SMILES for CID 67789515 is C[Si](C)O[C@](C)([C@H]1C(=O)N[C@@H]1[C@@H]1CCc2ccc(Cl)cc2C1=O)C(C)(C)C.
What is the InChIKey of CID 67789515?
The InChIKey is ZASFXFMSKRANMY-CTRXZIQJSA-N. The full InChI is InChI=1S/C21H29ClNO3Si/c1-20(2,3)21(4,26-27(5)6)16-17(23-19(16)25)14-10-8-12-7-9-13(22)11-15(12)18(14)24/h7,9,11,14,16-17H,8,10H2,1-6H3,(H,23,25)/t14-,16+,17+,21+/m0/s1.
What are the key properties of CID 67789515?
CID 67789515 has a molecular weight of 407.01 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67789515 is sourced from PubChem (CID 67789515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).