CID 18630380

C18H18ClNOSi — CID 18630380

IUPAC—
SMILESC=CCc1ccccc1[Si]c1cccc(Cl)c1C(=O)NCC
InChIInChI=1S/C18H18ClNOSi/c1-3-8-13-9-5-6-11-15(13)22-16-12-7-10-14(19)17(16)18(21)20-4-2/h3,5-7,9-12H,1,4,8H2,2H3,(H,20,21)
InChIKeyOGIIHQMVJJKKEQ-UHFFFAOYSA-N
MW327.89 g/mol
LogP2.47
Rot. Bonds6

About CID 18630380

CID 18630380 (PubChem CID 18630380) has the molecular formula C18H18ClNOSi and a molecular weight of 327.89 g/mol.

Molecular Properties

Compound NameCID 18630380
PubChem CID18630380
Molecular FormulaC18H18ClNOSi
Molecular Weight327.89 g/mol
Exact Mass327.08
IUPAC Name—
SMILESC=CCc1ccccc1[Si]c1cccc(Cl)c1C(=O)NCC
InChIInChI=1S/C18H18ClNOSi/c1-3-8-13-9-5-6-11-15(13)22-16-12-7-10-14(19)17(16)18(21)20-4-2/h3,5-7,9-12H,1,4,8H2,2H3,(H,20,21)
InChIKeyOGIIHQMVJJKKEQ-UHFFFAOYSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.89
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 18630380?
The IUPAC name of CID 18630380 (CID 18630380) is not available.
What is the SMILES notation for CID 18630380?
The canonical SMILES for CID 18630380 is C=CCc1ccccc1[Si]c1cccc(Cl)c1C(=O)NCC.
What is the InChIKey of CID 18630380?
The InChIKey is OGIIHQMVJJKKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNOSi/c1-3-8-13-9-5-6-11-15(13)22-16-12-7-10-14(19)17(16)18(21)20-4-2/h3,5-7,9-12H,1,4,8H2,2H3,(H,20,21).
What are the key properties of CID 18630380?
CID 18630380 has a molecular weight of 327.89 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18630380 is sourced from PubChem (CID 18630380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).