CID 70116156

C16H24ClNO2Si — CID 70116156

IUPAC—
SMILESCc1c(CO[Si]C(C)(C)C(C)C)cccc1NC(=O)CCl
InChIInChI=1S/C16H24ClNO2Si/c1-11(2)16(4,5)21-20-10-13-7-6-8-14(12(13)3)18-15(19)9-17/h6-8,11H,9-10H2,1-5H3,(H,18,19)
InChIKeyQHTMPJIDMSOJCY-UHFFFAOYSA-N
MW325.91 g/mol
LogP4.16
Rot. Bonds7

About CID 70116156

CID 70116156 (PubChem CID 70116156) has the molecular formula C16H24ClNO2Si and a molecular weight of 325.91 g/mol.

Molecular Properties

Compound NameCID 70116156
PubChem CID70116156
Molecular FormulaC16H24ClNO2Si
Molecular Weight325.91 g/mol
Exact Mass325.13
IUPAC Name—
SMILESCc1c(CO[Si]C(C)(C)C(C)C)cccc1NC(=O)CCl
InChIInChI=1S/C16H24ClNO2Si/c1-11(2)16(4,5)21-20-10-13-7-6-8-14(12(13)3)18-15(19)9-17/h6-8,11H,9-10H2,1-5H3,(H,18,19)
InChIKeyQHTMPJIDMSOJCY-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.91
LogP ≤ 54.16
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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methyl N-[3-[(2-chloroacetyl)amino]-2-methylphenyl]carbamate
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3-[(2-chloroacetyl)amino]-2-methylbenzamide
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2-chloro-N-(2,3-diethylphenyl)acetamide
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N-[2-(tert-butylamino)-3-chlorophenyl]-2-chloroacetamide
CID 18630356
2-chloro-N-[(3-chloro-2-methylphenyl)carbamoyl]acetamide
CID 43146029
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide
CID 119810588
N-carbamoyl-3-[(2-chloroacetyl)amino]-2-methylbenzamide
CID 24878934
tert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
CID 23200830
N-[2-(butan-2-yloxymethyl)-6-methylphenyl]-2-chloroacetamide
CID 67820696
1-(2-hydroxyethyl)-3-[2-methyl-3-(phenoxymethyl)phenyl]urea
CID 71865833
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119810587

Frequently Asked Questions

What is the IUPAC name of CID 70116156?
The IUPAC name of CID 70116156 (CID 70116156) is not available.
What is the SMILES notation for CID 70116156?
The canonical SMILES for CID 70116156 is Cc1c(CO[Si]C(C)(C)C(C)C)cccc1NC(=O)CCl.
What is the InChIKey of CID 70116156?
The InChIKey is QHTMPJIDMSOJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2Si/c1-11(2)16(4,5)21-20-10-13-7-6-8-14(12(13)3)18-15(19)9-17/h6-8,11H,9-10H2,1-5H3,(H,18,19).
What are the key properties of CID 70116156?
CID 70116156 has a molecular weight of 325.91 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70116156 is sourced from PubChem (CID 70116156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).