3-chloro-1-N-[1-(trimethylsilylmethylsulfanyl)propan-2-yl]benzene-1,2-dicarboxamide

C15H23ClN2O2SSi — CID 91439213

IUPAC3-chloro-1-N-[1-(trimethylsilylmethylsulfanyl)propan-2-yl]benzene-1,2-dicarboxamide
SMILESCC(CSC[Si](C)(C)C)NC(=O)c1cccc(Cl)c1C(N)=O
InChIInChI=1S/C15H23ClN2O2SSi/c1-10(8-21-9-22(2,3)4)18-15(20)11-6-5-7-12(16)13(11)14(17)19/h5-7,10H,8-9H2,1-4H3,(H2,17,19)(H,18,20)
InChIKeyQUHBWTLRRBHYBJ-UHFFFAOYSA-N
MW358.97 g/mol
LogP3.17
Rot. Bonds7

About 3-chloro-1-N-[1-(trimethylsilylmethylsulfanyl)propan-2-yl]benzene-1,2-dicarboxamide

3-chloro-1-N-[1-(trimethylsilylmethylsulfanyl)propan-2-yl]benzene-1,2-dicarboxamide (PubChem CID 91439213) has the molecular formula C15H23ClN2O2SSi and a molecular weight of 358.97 g/mol. Its IUPAC name is 3-chloro-1-N-[1-(trimethylsilylmethylsulfanyl)propan-2-yl]benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name3-chloro-1-N-[1-(trimethylsilylmethylsulfanyl)propan-2-yl]benzene-1,2-dicarboxamide
PubChem CID91439213
Molecular FormulaC15H23ClN2O2SSi
Molecular Weight358.97 g/mol
Exact Mass358.09
IUPAC Name3-chloro-1-N-[1-(trimethylsilylmethylsulfanyl)propan-2-yl]benzene-1,2-dicarboxamide
SMILESCC(CSC[Si](C)(C)C)NC(=O)c1cccc(Cl)c1C(N)=O
InChIInChI=1S/C15H23ClN2O2SSi/c1-10(8-21-9-22(2,3)4)18-15(20)11-6-5-7-12(16)13(11)14(17)19/h5-7,10H,8-9H2,1-4H3,(H2,17,19)(H,18,20)
InChIKeyQUHBWTLRRBHYBJ-UHFFFAOYSA-N
XLogP3.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.97
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-N-propan-2-ylbenzene-1,2-dicarboxamide
CID 142678332
3-chloro-2-(1-ethylsulfanylpropan-2-ylcarbamoyl)benzoic acid
CID 66722525
3-chloro-2-(1-methylsulfanylpropan-2-ylcarbamoyl)benzoic acid
CID 66722740
2-amino-3-chloro-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 113331728
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 107097794
N-[(2R)-1-aminopropan-2-yl]-3-chloro-2-fluorobenzamide
CID 104877144
2-amino-3-chloro-N-(4-methylpentan-2-yl)benzamide
CID 113331662
2-chloro-N-(5-methylhexan-2-yl)benzamide
CID 78789541
2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide
CID 7311900
N-butan-2-yl-2-chloro-6-trimethylsilylbenzamide
CID 18630255
N-(1-ethylsulfanylpropan-2-yl)-2,3-difluorobenzamide
CID 115662280
3-bromo-2-chloro-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 103990835

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-N-[1-(trimethylsilylmethylsulfanyl)propan-2-yl]benzene-1,2-dicarboxamide?
The IUPAC name of 3-chloro-1-N-[1-(trimethylsilylmethylsulfanyl)propan-2-yl]benzene-1,2-dicarboxamide (CID 91439213) is 3-chloro-1-N-[1-(trimethylsilylmethylsulfanyl)propan-2-yl]benzene-1,2-dicarboxamide.
What is the SMILES notation for 3-chloro-1-N-[1-(trimethylsilylmethylsulfanyl)propan-2-yl]benzene-1,2-dicarboxamide?
The canonical SMILES for 3-chloro-1-N-[1-(trimethylsilylmethylsulfanyl)propan-2-yl]benzene-1,2-dicarboxamide is CC(CSC[Si](C)(C)C)NC(=O)c1cccc(Cl)c1C(N)=O.
What is the InChIKey of 3-chloro-1-N-[1-(trimethylsilylmethylsulfanyl)propan-2-yl]benzene-1,2-dicarboxamide?
The InChIKey is QUHBWTLRRBHYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2SSi/c1-10(8-21-9-22(2,3)4)18-15(20)11-6-5-7-12(16)13(11)14(17)19/h5-7,10H,8-9H2,1-4H3,(H2,17,19)(H,18,20).
What are the key properties of 3-chloro-1-N-[1-(trimethylsilylmethylsulfanyl)propan-2-yl]benzene-1,2-dicarboxamide?
3-chloro-1-N-[1-(trimethylsilylmethylsulfanyl)propan-2-yl]benzene-1,2-dicarboxamide has a molecular weight of 358.97 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-N-[1-(trimethylsilylmethylsulfanyl)propan-2-yl]benzene-1,2-dicarboxamide is sourced from PubChem (CID 91439213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).