N-butan-2-yl-2-chloro-6-trimethylsilylbenzamide

C14H22ClNOSi — CID 18630255

IUPACN-butan-2-yl-2-chloro-6-trimethylsilylbenzamide
SMILESCCC(C)NC(=O)c1c(Cl)cccc1[Si](C)(C)C
InChIInChI=1S/C14H22ClNOSi/c1-6-10(2)16-14(17)13-11(15)8-7-9-12(13)18(3,4)5/h7-10H,6H2,1-5H3,(H,16,17)
InChIKeyQDROCUHHLBWHCP-UHFFFAOYSA-N
MW283.88 g/mol
LogP3.41
Rot. Bonds4

About N-butan-2-yl-2-chloro-6-trimethylsilylbenzamide

N-butan-2-yl-2-chloro-6-trimethylsilylbenzamide (PubChem CID 18630255) has the molecular formula C14H22ClNOSi and a molecular weight of 283.88 g/mol. Its IUPAC name is N-butan-2-yl-2-chloro-6-trimethylsilylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-chloro-6-trimethylsilylbenzamide
PubChem CID18630255
Molecular FormulaC14H22ClNOSi
Molecular Weight283.88 g/mol
Exact Mass283.12
IUPAC NameN-butan-2-yl-2-chloro-6-trimethylsilylbenzamide
SMILESCCC(C)NC(=O)c1c(Cl)cccc1[Si](C)(C)C
InChIInChI=1S/C14H22ClNOSi/c1-6-10(2)16-14(17)13-11(15)8-7-9-12(13)18(3,4)5/h7-10H,6H2,1-5H3,(H,16,17)
InChIKeyQDROCUHHLBWHCP-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.88
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-butan-2-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 714929
2-chloro-N-prop-2-enyl-6-trimethylsilylbenzamide
CID 18630326
2-chloro-N-(2-propan-2-ylphenyl)-6-trimethylsilylbenzamide
CID 18630035
[(2-chloro-6-trimethylsilylbenzoyl)oxy-(ethylamino)phosphoryl] 2-chloro-6-trimethylsilylbenzoate
CID 67614861
N-butan-2-yl-2-(2,6-dichloroanilino)pyrimidine-4-carboxamide
CID 109297451
2-chloro-N-ethyl-6-[ethyl(dimethyl)silyl]benzamide
CID 18630286
3-chloro-2-(1-ethylsulfanylpropan-2-ylcarbamoyl)benzoic acid
CID 66722525
2-amino-6-chloro-N-hexan-2-ylbenzamide
CID 63660411
3-chloro-2-(1-methylsulfanylpropan-2-ylcarbamoyl)benzoic acid
CID 66722740
2-chloro-6-fluoro-N-heptan-2-ylbenzamide
CID 78789535
3-(2,6-dichlorophenyl)-5-methyl-N-pentan-2-yl-1,2-oxazole-4-carboxamide
CID 2886297
N-butan-2-yl-8-chloro-2-methylquinoline-4-carboxamide
CID 53016160

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-chloro-6-trimethylsilylbenzamide?
The IUPAC name of N-butan-2-yl-2-chloro-6-trimethylsilylbenzamide (CID 18630255) is N-butan-2-yl-2-chloro-6-trimethylsilylbenzamide.
What is the SMILES notation for N-butan-2-yl-2-chloro-6-trimethylsilylbenzamide?
The canonical SMILES for N-butan-2-yl-2-chloro-6-trimethylsilylbenzamide is CCC(C)NC(=O)c1c(Cl)cccc1[Si](C)(C)C.
What is the InChIKey of N-butan-2-yl-2-chloro-6-trimethylsilylbenzamide?
The InChIKey is QDROCUHHLBWHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNOSi/c1-6-10(2)16-14(17)13-11(15)8-7-9-12(13)18(3,4)5/h7-10H,6H2,1-5H3,(H,16,17).
What are the key properties of N-butan-2-yl-2-chloro-6-trimethylsilylbenzamide?
N-butan-2-yl-2-chloro-6-trimethylsilylbenzamide has a molecular weight of 283.88 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-chloro-6-trimethylsilylbenzamide is sourced from PubChem (CID 18630255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).