N,2,3,4,5-pentafluoro-N-(3-trimethoxysilylpropyl)benzamide

C13H16F5NO4Si — CID 90170601

IUPACN,2,3,4,5-pentafluoro-N-(3-trimethoxysilylpropyl)benzamide
SMILESCO[Si](CCCN(F)C(=O)c1cc(F)c(F)c(F)c1F)(OC)OC
InChIInChI=1S/C13H16F5NO4Si/c1-21-24(22-2,23-3)6-4-5-19(18)13(20)8-7-9(14)11(16)12(17)10(8)15/h7H,4-6H2,1-3H3
InChIKeyPTNHOZHBGDTWBO-UHFFFAOYSA-N
MW373.35 g/mol
LogP2.84
Rot. Bonds8

About N,2,3,4,5-pentafluoro-N-(3-trimethoxysilylpropyl)benzamide

N,2,3,4,5-pentafluoro-N-(3-trimethoxysilylpropyl)benzamide (PubChem CID 90170601) has the molecular formula C13H16F5NO4Si and a molecular weight of 373.35 g/mol. Its IUPAC name is N,2,3,4,5-pentafluoro-N-(3-trimethoxysilylpropyl)benzamide.

Molecular Properties

Compound NameN,2,3,4,5-pentafluoro-N-(3-trimethoxysilylpropyl)benzamide
PubChem CID90170601
Molecular FormulaC13H16F5NO4Si
Molecular Weight373.35 g/mol
Exact Mass373.08
IUPAC NameN,2,3,4,5-pentafluoro-N-(3-trimethoxysilylpropyl)benzamide
SMILESCO[Si](CCCN(F)C(=O)c1cc(F)c(F)c(F)c1F)(OC)OC
InChIInChI=1S/C13H16F5NO4Si/c1-21-24(22-2,23-3)6-4-5-19(18)13(20)8-7-9(14)11(16)12(17)10(8)15/h7H,4-6H2,1-3H3
InChIKeyPTNHOZHBGDTWBO-UHFFFAOYSA-N
XLogP2.84
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[3-[diethyl(methoxy)silyl]propyl]-N,2,3,4,5-pentafluorobenzamide
CID 90170617
(2,3,4,5-tetrafluorophenyl) N-[3-[diethyl(methoxy)silyl]propyl]-N-fluorocarbamate
CID 90170629
1-[3-[ethoxy(dimethoxy)silyl]propyl]-1,3-difluoro-3-(2,3,4-trifluorophenyl)urea
CID 90170159
(2,3,4,5-tetrafluorophenyl) N-[4-[dimethoxy(methyl)silyl]butyl]-N-fluorocarbamate
CID 90174768
[3-(N,2,3,4,5-pentafluoroanilino)propyl-di(propanoyloxy)silyl] propanoate
CID 90172480
methyl 3-[ethyl-(2,3,4,5-tetrafluorobenzoyl)amino]propanoate
CID 61007496
2,4,5-trifluoro-N-hexyl-3-methoxy-N-(2,4,5-trifluoro-3-methoxybenzoyl)benzamide
CID 91730464
trimethylstannyl 2,3,4,5-tetrafluorobenzoate
CID 71422031
N-[2-[bis[2-[(2,3,4,5-tetrafluorobenzoyl)amino]ethyl]amino]ethyl]-2,3,4,5-tetrafluorobenzamide
CID 139198554
ethoxy-dimethoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane
CID 90171128
propyl 2,3,4,5-tetrafluorobenzoate
CID 78968858
2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride
CID 175062708

Frequently Asked Questions

What is the IUPAC name of N,2,3,4,5-pentafluoro-N-(3-trimethoxysilylpropyl)benzamide?
The IUPAC name of N,2,3,4,5-pentafluoro-N-(3-trimethoxysilylpropyl)benzamide (CID 90170601) is N,2,3,4,5-pentafluoro-N-(3-trimethoxysilylpropyl)benzamide.
What is the SMILES notation for N,2,3,4,5-pentafluoro-N-(3-trimethoxysilylpropyl)benzamide?
The canonical SMILES for N,2,3,4,5-pentafluoro-N-(3-trimethoxysilylpropyl)benzamide is CO[Si](CCCN(F)C(=O)c1cc(F)c(F)c(F)c1F)(OC)OC.
What is the InChIKey of N,2,3,4,5-pentafluoro-N-(3-trimethoxysilylpropyl)benzamide?
The InChIKey is PTNHOZHBGDTWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F5NO4Si/c1-21-24(22-2,23-3)6-4-5-19(18)13(20)8-7-9(14)11(16)12(17)10(8)15/h7H,4-6H2,1-3H3.
What are the key properties of N,2,3,4,5-pentafluoro-N-(3-trimethoxysilylpropyl)benzamide?
N,2,3,4,5-pentafluoro-N-(3-trimethoxysilylpropyl)benzamide has a molecular weight of 373.35 g/mol, XLogP of 2.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3,4,5-pentafluoro-N-(3-trimethoxysilylpropyl)benzamide is sourced from PubChem (CID 90170601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).