N-[3-[diethoxy(methoxy)silyl]propyl]-2,3,4,5,6-pentafluorobenzamide

C15H20F5NO4Si — CID 90175282

IUPACN-[3-[diethoxy(methoxy)silyl]propyl]-2,3,4,5,6-pentafluorobenzamide
SMILESCCO[Si](CCCNC(=O)c1c(F)c(F)c(F)c(F)c1F)(OC)OCC
InChIInChI=1S/C15H20F5NO4Si/c1-4-24-26(23-3,25-5-2)8-6-7-21-15(22)9-10(16)12(18)14(20)13(19)11(9)17/h4-8H2,1-3H3,(H,21,22)
InChIKeyPYXMYLXRCKRPOL-UHFFFAOYSA-N
MW401.40 g/mol
LogP3.16
Rot. Bonds10

About N-[3-[diethoxy(methoxy)silyl]propyl]-2,3,4,5,6-pentafluorobenzamide

N-[3-[diethoxy(methoxy)silyl]propyl]-2,3,4,5,6-pentafluorobenzamide (PubChem CID 90175282) has the molecular formula C15H20F5NO4Si and a molecular weight of 401.40 g/mol. Its IUPAC name is N-[3-[diethoxy(methoxy)silyl]propyl]-2,3,4,5,6-pentafluorobenzamide.

Molecular Properties

Compound NameN-[3-[diethoxy(methoxy)silyl]propyl]-2,3,4,5,6-pentafluorobenzamide
PubChem CID90175282
Molecular FormulaC15H20F5NO4Si
Molecular Weight401.40 g/mol
Exact Mass401.11
IUPAC NameN-[3-[diethoxy(methoxy)silyl]propyl]-2,3,4,5,6-pentafluorobenzamide
SMILESCCO[Si](CCCNC(=O)c1c(F)c(F)c(F)c(F)c1F)(OC)OCC
InChIInChI=1S/C15H20F5NO4Si/c1-4-24-26(23-3,25-5-2)8-6-7-21-15(22)9-10(16)12(18)14(20)13(19)11(9)17/h4-8H2,1-3H3,(H,21,22)
InChIKeyPYXMYLXRCKRPOL-UHFFFAOYSA-N
XLogP3.16
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,3,4,5,6-pentafluorophenyl) N-[3-[ethoxy(dimethoxy)silyl]propyl]carbamate
CID 90171901
N-[4-[dihydroxy(methoxy)silyl]butyl]-2,3,4,5,6-pentafluorobenzamide
CID 90170706
N-[[ethyl(dimethoxy)silyl]methyl]-2,3,4,5,6-pentafluorobenzamide
CID 90171563
2-[3-[ethoxy(dimethoxy)silyl]propylcarbamoyl]benzoic acid
CID 174032259
1-(2,3,4,5,6-pentafluorophenyl)-3-(3-trimethoxysilylpropyl)urea
CID 90174028
S-(3-trimethoxysilylpropyl) N-(3-triethoxysilylpropyl)carbamothioate
CID 58004922
(2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(methoxy)silyl]methyl]carbamate
CID 90171931
N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentafluorobenzamide
CID 4207479
2,3,5,6-tetrafluoro-4-(octan-4-ylamino)-N-(2-trimethoxysilylethyl)benzamide
CID 59172569
N-[3-(2-aminoethoxy)propyl]-2,3,4,5,6-pentafluorobenzamide
CID 106307985
N,N'-bis(3-trimethoxysilylpropyl)oxamide
CID 122383973
1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea
CID 87657796

Frequently Asked Questions

What is the IUPAC name of N-[3-[diethoxy(methoxy)silyl]propyl]-2,3,4,5,6-pentafluorobenzamide?
The IUPAC name of N-[3-[diethoxy(methoxy)silyl]propyl]-2,3,4,5,6-pentafluorobenzamide (CID 90175282) is N-[3-[diethoxy(methoxy)silyl]propyl]-2,3,4,5,6-pentafluorobenzamide.
What is the SMILES notation for N-[3-[diethoxy(methoxy)silyl]propyl]-2,3,4,5,6-pentafluorobenzamide?
The canonical SMILES for N-[3-[diethoxy(methoxy)silyl]propyl]-2,3,4,5,6-pentafluorobenzamide is CCO[Si](CCCNC(=O)c1c(F)c(F)c(F)c(F)c1F)(OC)OCC.
What is the InChIKey of N-[3-[diethoxy(methoxy)silyl]propyl]-2,3,4,5,6-pentafluorobenzamide?
The InChIKey is PYXMYLXRCKRPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F5NO4Si/c1-4-24-26(23-3,25-5-2)8-6-7-21-15(22)9-10(16)12(18)14(20)13(19)11(9)17/h4-8H2,1-3H3,(H,21,22).
What are the key properties of N-[3-[diethoxy(methoxy)silyl]propyl]-2,3,4,5,6-pentafluorobenzamide?
N-[3-[diethoxy(methoxy)silyl]propyl]-2,3,4,5,6-pentafluorobenzamide has a molecular weight of 401.40 g/mol, XLogP of 3.16, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[diethoxy(methoxy)silyl]propyl]-2,3,4,5,6-pentafluorobenzamide is sourced from PubChem (CID 90175282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).