CID 67842343

C16H23Cl3NO2Si — CID 67842343

IUPAC—
SMILESC[Si](C)OC(c1cccc(CNC(=O)C(Cl)(Cl)Cl)c1)C(C)(C)C
InChIInChI=1S/C16H23Cl3NO2Si/c1-15(2,3)13(22-23(4)5)12-8-6-7-11(9-12)10-20-14(21)16(17,18)19/h6-9,13H,10H2,1-5H3,(H,20,21)
InChIKeyNPDXJBHFKWMMBA-UHFFFAOYSA-N
MW395.81 g/mol
LogP5.03
Rot. Bonds5

About CID 67842343

CID 67842343 (PubChem CID 67842343) has the molecular formula C16H23Cl3NO2Si and a molecular weight of 395.81 g/mol.

Molecular Properties

Compound NameCID 67842343
PubChem CID67842343
Molecular FormulaC16H23Cl3NO2Si
Molecular Weight395.81 g/mol
Exact Mass394.06
IUPAC Name—
SMILESC[Si](C)OC(c1cccc(CNC(=O)C(Cl)(Cl)Cl)c1)C(C)(C)C
InChIInChI=1S/C16H23Cl3NO2Si/c1-15(2,3)13(22-23(4)5)12-8-6-7-11(9-12)10-20-14(21)16(17,18)19/h6-9,13H,10H2,1-5H3,(H,20,21)
InChIKeyNPDXJBHFKWMMBA-UHFFFAOYSA-N
XLogP5.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.81
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
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methyl 2-[[3-[[(1-methoxy-3,3-dimethyl-1-oxobutan-2-yl)carbamoylamino]methyl]phenyl]methylcarbamoylamino]-3,3-dimethylbutanoate
CID 90084118
3-chloro-2,2-dimethyl-N-[(3-methylphenyl)methyl]propanamide
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1-methyl-3-[(3-propan-2-ylphenyl)methyl]urea
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N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide
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N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
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ethyl 2-hydroxy-2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetate
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3-chloro-N-[(3-ethoxyphenyl)methyl]-2,2-dimethylpropanamide
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N-[[3-(1-aminoethyl)phenyl]methyl]-4-chlorobutanamide
CID 165440683

Frequently Asked Questions

What is the IUPAC name of CID 67842343?
The IUPAC name of CID 67842343 (CID 67842343) is not available.
What is the SMILES notation for CID 67842343?
The canonical SMILES for CID 67842343 is C[Si](C)OC(c1cccc(CNC(=O)C(Cl)(Cl)Cl)c1)C(C)(C)C.
What is the InChIKey of CID 67842343?
The InChIKey is NPDXJBHFKWMMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl3NO2Si/c1-15(2,3)13(22-23(4)5)12-8-6-7-11(9-12)10-20-14(21)16(17,18)19/h6-9,13H,10H2,1-5H3,(H,20,21).
What are the key properties of CID 67842343?
CID 67842343 has a molecular weight of 395.81 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67842343 is sourced from PubChem (CID 67842343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).