2-chloro-N-prop-2-enyl-6-trimethylsilylbenzamide

C13H18ClNOSi — CID 18630326

IUPAC2-chloro-N-prop-2-enyl-6-trimethylsilylbenzamide
SMILESC=CCNC(=O)c1c(Cl)cccc1[Si](C)(C)C
InChIInChI=1S/C13H18ClNOSi/c1-5-9-15-13(16)12-10(14)7-6-8-11(12)17(2,3)4/h5-8H,1,9H2,2-4H3,(H,15,16)
InChIKeyJKWYBJWFROXYEI-UHFFFAOYSA-N
MW267.83 g/mol
LogP2.80
Rot. Bonds4

About 2-chloro-N-prop-2-enyl-6-trimethylsilylbenzamide

2-chloro-N-prop-2-enyl-6-trimethylsilylbenzamide (PubChem CID 18630326) has the molecular formula C13H18ClNOSi and a molecular weight of 267.83 g/mol. Its IUPAC name is 2-chloro-N-prop-2-enyl-6-trimethylsilylbenzamide.

Molecular Properties

Compound Name2-chloro-N-prop-2-enyl-6-trimethylsilylbenzamide
PubChem CID18630326
Molecular FormulaC13H18ClNOSi
Molecular Weight267.83 g/mol
Exact Mass267.08
IUPAC Name2-chloro-N-prop-2-enyl-6-trimethylsilylbenzamide
SMILESC=CCNC(=O)c1c(Cl)cccc1[Si](C)(C)C
InChIInChI=1S/C13H18ClNOSi/c1-5-9-15-13(16)12-10(14)7-6-8-11(12)17(2,3)4/h5-8H,1,9H2,2-4H3,(H,15,16)
InChIKeyJKWYBJWFROXYEI-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.83
LogP ≤ 52.80
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

2-amino-6-chloro-N-prop-2-enylbenzamide
CID 63658592
4-chloro-2-methyl-N-prop-2-enyl-1H-indole-3-carboxamide
CID 110848103
2-chloro-6-(3-methylpentan-3-ylamino)-N-prop-2-enylbenzamide
CID 67677744
2-chloro-6-(3-ethylpentan-3-yloxy)-N-prop-2-enylbenzamide
CID 54390814
N-butan-2-yl-2-chloro-6-trimethylsilylbenzamide
CID 18630255
2-chloro-N-ethyl-6-[ethyl(dimethyl)silyl]benzamide
CID 18630286
2,6-dimethoxy-N-prop-2-enylbenzamide
CID 3569670
2-(3-chloro-2-methylanilino)-N-prop-2-enylpyrimidine-5-carboxamide
CID 109247769
4-chloro-N-prop-2-enyl-1H-indole-2-carboxamide
CID 110848091
N-tert-butyl-2-chloro-N-methyl-6-trimethylsilylbenzamide
CID 18630046
2-chloro-N-(2-propan-2-ylphenyl)-6-trimethylsilylbenzamide
CID 18630035
[(2-chloro-6-trimethylsilylbenzoyl)oxy-(ethylamino)phosphoryl] 2-chloro-6-trimethylsilylbenzoate
CID 67614861

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-prop-2-enyl-6-trimethylsilylbenzamide?
The IUPAC name of 2-chloro-N-prop-2-enyl-6-trimethylsilylbenzamide (CID 18630326) is 2-chloro-N-prop-2-enyl-6-trimethylsilylbenzamide.
What is the SMILES notation for 2-chloro-N-prop-2-enyl-6-trimethylsilylbenzamide?
The canonical SMILES for 2-chloro-N-prop-2-enyl-6-trimethylsilylbenzamide is C=CCNC(=O)c1c(Cl)cccc1[Si](C)(C)C.
What is the InChIKey of 2-chloro-N-prop-2-enyl-6-trimethylsilylbenzamide?
The InChIKey is JKWYBJWFROXYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNOSi/c1-5-9-15-13(16)12-10(14)7-6-8-11(12)17(2,3)4/h5-8H,1,9H2,2-4H3,(H,15,16).
What are the key properties of 2-chloro-N-prop-2-enyl-6-trimethylsilylbenzamide?
2-chloro-N-prop-2-enyl-6-trimethylsilylbenzamide has a molecular weight of 267.83 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-prop-2-enyl-6-trimethylsilylbenzamide is sourced from PubChem (CID 18630326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).