CID 175283036

C16H21ClN3OSi — CID 175283036

IUPAC—
SMILESCc1cc(Cl)c2cc(C(=O)NC3CCC([Si](C)C)C3)[nH]c2n1
InChIInChI=1S/C16H21ClN3OSi/c1-9-6-13(17)12-8-14(20-15(12)18-9)16(21)19-10-4-5-11(7-10)22(2)3/h6,8,10-11H,4-5,7H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyDOQFFCZJCGOCHL-UHFFFAOYSA-N
MW334.90 g/mol
LogP3.93
Rot. Bonds3

About CID 175283036

CID 175283036 (PubChem CID 175283036) has the molecular formula C16H21ClN3OSi and a molecular weight of 334.90 g/mol.

Molecular Properties

Compound NameCID 175283036
PubChem CID175283036
Molecular FormulaC16H21ClN3OSi
Molecular Weight334.90 g/mol
Exact Mass334.11
IUPAC Name—
SMILESCc1cc(Cl)c2cc(C(=O)NC3CCC([Si](C)C)C3)[nH]c2n1
InChIInChI=1S/C16H21ClN3OSi/c1-9-6-13(17)12-8-14(20-15(12)18-9)16(21)19-10-4-5-11(7-10)22(2)3/h6,8,10-11H,4-5,7H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyDOQFFCZJCGOCHL-UHFFFAOYSA-N
XLogP3.93
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.90
LogP ≤ 53.93
H-Bond Donors ≤ 52
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 175283036?
The IUPAC name of CID 175283036 (CID 175283036) is not available.
What is the SMILES notation for CID 175283036?
The canonical SMILES for CID 175283036 is Cc1cc(Cl)c2cc(C(=O)NC3CCC([Si](C)C)C3)[nH]c2n1.
What is the InChIKey of CID 175283036?
The InChIKey is DOQFFCZJCGOCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN3OSi/c1-9-6-13(17)12-8-14(20-15(12)18-9)16(21)19-10-4-5-11(7-10)22(2)3/h6,8,10-11H,4-5,7H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of CID 175283036?
CID 175283036 has a molecular weight of 334.90 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175283036 is sourced from PubChem (CID 175283036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).