N-[3-[diethyl(methoxy)silyl]propyl]-N,2,3,4,5-pentafluorobenzamide

C15H20F5NO2Si — CID 90170617

IUPACN-[3-[diethyl(methoxy)silyl]propyl]-N,2,3,4,5-pentafluorobenzamide
SMILESCC[Si](CC)(CCCN(F)C(=O)c1cc(F)c(F)c(F)c1F)OC
InChIInChI=1S/C15H20F5NO2Si/c1-4-24(5-2,23-3)8-6-7-21(20)15(22)10-9-11(16)13(18)14(19)12(10)17/h9H,4-8H2,1-3H3
InChIKeyQDJHNNOGVHAMAV-UHFFFAOYSA-N
MW369.41 g/mol
LogP4.59
Rot. Bonds8

About N-[3-[diethyl(methoxy)silyl]propyl]-N,2,3,4,5-pentafluorobenzamide

N-[3-[diethyl(methoxy)silyl]propyl]-N,2,3,4,5-pentafluorobenzamide (PubChem CID 90170617) has the molecular formula C15H20F5NO2Si and a molecular weight of 369.41 g/mol. Its IUPAC name is N-[3-[diethyl(methoxy)silyl]propyl]-N,2,3,4,5-pentafluorobenzamide.

Molecular Properties

Compound NameN-[3-[diethyl(methoxy)silyl]propyl]-N,2,3,4,5-pentafluorobenzamide
PubChem CID90170617
Molecular FormulaC15H20F5NO2Si
Molecular Weight369.41 g/mol
Exact Mass369.12
IUPAC NameN-[3-[diethyl(methoxy)silyl]propyl]-N,2,3,4,5-pentafluorobenzamide
SMILESCC[Si](CC)(CCCN(F)C(=O)c1cc(F)c(F)c(F)c1F)OC
InChIInChI=1S/C15H20F5NO2Si/c1-4-24(5-2,23-3)8-6-7-21(20)15(22)10-9-11(16)13(18)14(19)12(10)17/h9H,4-8H2,1-3H3
InChIKeyQDJHNNOGVHAMAV-UHFFFAOYSA-N
XLogP4.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N,2,3,4,5-pentafluoro-N-(3-trimethoxysilylpropyl)benzamide
CID 90170601
(2,3,4,5-tetrafluorophenyl) N-[3-[diethyl(methoxy)silyl]propyl]-N-fluorocarbamate
CID 90170629
(2,3,4,5-tetrafluorophenyl) N-[4-[dimethoxy(methyl)silyl]butyl]-N-fluorocarbamate
CID 90174768
methyl 3-[ethyl-(2,3,4,5-tetrafluorobenzoyl)amino]propanoate
CID 61007496
[3-(N,2,3,4,5-pentafluoroanilino)propyl-di(propanoyloxy)silyl] propanoate
CID 90172480
2,4,5-trifluoro-N-hexyl-3-methoxy-N-(2,4,5-trifluoro-3-methoxybenzoyl)benzamide
CID 91730464
propyl 2,3,4,5-tetrafluorobenzoate
CID 78968858
1-[3-[ethoxy(dimethoxy)silyl]propyl]-1,3-difluoro-3-(2,3,4-trifluorophenyl)urea
CID 90170159
trimethylstannyl 2,3,4,5-tetrafluorobenzoate
CID 71422031
N-ethyl-2,3,4,5-tetrafluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79380809
2-[ethyl-(2,3,4,5-tetrafluorobenzoyl)amino]-2-methylpropanoic acid
CID 62818415
N-[2-[bis[2-[(2,3,4,5-tetrafluorobenzoyl)amino]ethyl]amino]ethyl]-2,3,4,5-tetrafluorobenzamide
CID 139198554

Frequently Asked Questions

What is the IUPAC name of N-[3-[diethyl(methoxy)silyl]propyl]-N,2,3,4,5-pentafluorobenzamide?
The IUPAC name of N-[3-[diethyl(methoxy)silyl]propyl]-N,2,3,4,5-pentafluorobenzamide (CID 90170617) is N-[3-[diethyl(methoxy)silyl]propyl]-N,2,3,4,5-pentafluorobenzamide.
What is the SMILES notation for N-[3-[diethyl(methoxy)silyl]propyl]-N,2,3,4,5-pentafluorobenzamide?
The canonical SMILES for N-[3-[diethyl(methoxy)silyl]propyl]-N,2,3,4,5-pentafluorobenzamide is CC[Si](CC)(CCCN(F)C(=O)c1cc(F)c(F)c(F)c1F)OC.
What is the InChIKey of N-[3-[diethyl(methoxy)silyl]propyl]-N,2,3,4,5-pentafluorobenzamide?
The InChIKey is QDJHNNOGVHAMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F5NO2Si/c1-4-24(5-2,23-3)8-6-7-21(20)15(22)10-9-11(16)13(18)14(19)12(10)17/h9H,4-8H2,1-3H3.
What are the key properties of N-[3-[diethyl(methoxy)silyl]propyl]-N,2,3,4,5-pentafluorobenzamide?
N-[3-[diethyl(methoxy)silyl]propyl]-N,2,3,4,5-pentafluorobenzamide has a molecular weight of 369.41 g/mol, XLogP of 4.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[diethyl(methoxy)silyl]propyl]-N,2,3,4,5-pentafluorobenzamide is sourced from PubChem (CID 90170617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).