4-azido-2,3,5,6-tetrafluoro-N-(3-trimethoxysilylpropyl)benzamide;4-azido-N-(3-trimethoxysilylpropyl)benzamide;4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide

C46H61F4N9O13Si3 — CID 159843457

IUPAC4-azido-2,3,5,6-tetrafluoro-N-(3-trimethoxysilylpropyl)benzamide;4-azido-N-(3-trimethoxysilylpropyl)benzamide;4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide
SMILESCO[Si](CCCNC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F)(OC)OC.CO[Si](CCCNC(=O)c1ccc(C(=O)c2ccccc2)cc1)(OC)OC.CO[Si](CCCNC(=O)c1ccc(N=[N+]=[N-])cc1)(OC)OC
InChIInChI=1S/C20H25NO5Si.C13H16F4N4O4Si.C13H20N4O4Si/c1-24-27(25-2,26-3)15-7-14-21-20(23)18-12-10-17(11-13-18)19(22)16-8-5-4-6-9-16;1-23-26(24-2,25-3)6-4-5-19-13(22)7-8(14)10(16)12(20-21-18)11(17)9(7)15;1-19-22(20-2,21-3)10-4-9-15-13(18)11-5-7-12(8-6-11)16-17-14/h4-6,8-13H,7,14-15H2,1-3H3,(H,21,23);4-6H2,1-3H3,(H,19,22);5-8H,4,9-10H2,1-3H3,(H,15,18)
InChIKeyNOZGMIUHQMBBJA-UHFFFAOYSA-N
MW1108.29 g/mol
LogP8.72
Rot. Bonds28

About 4-azido-2,3,5,6-tetrafluoro-N-(3-trimethoxysilylpropyl)benzamide;4-azido-N-(3-trimethoxysilylpropyl)benzamide;4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide

4-azido-2,3,5,6-tetrafluoro-N-(3-trimethoxysilylpropyl)benzamide;4-azido-N-(3-trimethoxysilylpropyl)benzamide;4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide (PubChem CID 159843457) has the molecular formula C46H61F4N9O13Si3 and a molecular weight of 1108.29 g/mol. Its IUPAC name is 4-azido-2,3,5,6-tetrafluoro-N-(3-trimethoxysilylpropyl)benzamide;4-azido-N-(3-trimethoxysilylpropyl)benzamide;4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide.

Molecular Properties

Compound Name4-azido-2,3,5,6-tetrafluoro-N-(3-trimethoxysilylpropyl)benzamide;4-azido-N-(3-trimethoxysilylpropyl)benzamide;4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide
PubChem CID159843457
Molecular FormulaC46H61F4N9O13Si3
Molecular Weight1108.29 g/mol
Exact Mass1107.36
IUPAC Name4-azido-2,3,5,6-tetrafluoro-N-(3-trimethoxysilylpropyl)benzamide;4-azido-N-(3-trimethoxysilylpropyl)benzamide;4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide
SMILESCO[Si](CCCNC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F)(OC)OC.CO[Si](CCCNC(=O)c1ccc(C(=O)c2ccccc2)cc1)(OC)OC.CO[Si](CCCNC(=O)c1ccc(N=[N+]=[N-])cc1)(OC)OC
InChIInChI=1S/C20H25NO5Si.C13H16F4N4O4Si.C13H20N4O4Si/c1-24-27(25-2,26-3)15-7-14-21-20(23)18-12-10-17(11-13-18)19(22)16-8-5-4-6-9-16;1-23-26(24-2,25-3)6-4-5-19-13(22)7-8(14)10(16)12(20-21-18)11(17)9(7)15;1-19-22(20-2,21-3)10-4-9-15-13(18)11-5-7-12(8-6-11)16-17-14/h4-6,8-13H,7,14-15H2,1-3H3,(H,21,23);4-6H2,1-3H3,(H,19,22);5-8H,4,9-10H2,1-3H3,(H,15,18)
InChIKeyNOZGMIUHQMBBJA-UHFFFAOYSA-N
XLogP8.72
TPSA284.96 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds28
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001108.29
LogP ≤ 58.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-azido-2,3,5,6-tetrafluoro-N-(3-trimethoxysilylpropyl)benzamide;4-azido-N-(3-trimethoxysilylpropyl)benzamide;4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide
CID 58554755
4-azidobenzoic acid;4-azido-N-(3-trimethoxysilylpropyl)benzamide;methanol;3-trimethoxysilylpropan-1-amine
CID 162180891
4-azido-2,3,5,6-tetrafluoro-N-(trimethoxysilylmethyl)benzamide
CID 59753258
4-azido-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide;4-benzoyl-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 162038272
4-azido-N-[3-(dimethylamino)propyl]-2,3,5,6-tetrafluorobenzamide
CID 101443600
4-azido-2,3,5,6-tetrafluoro-N-(8-hydroxyoctyl)benzamide
CID 59172552
4-azido-N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]butyl]-2,3,5,6-tetrafluorobenzamide
CID 132518930
4-azido-2,3,5,6-tetrafluoro-N-(5-methyl-4-oxohex-5-enyl)benzamide
CID 161278811
4-(propan-2-yldiazenyl)-N-(3-trimethoxysilylpropyl)benzamide
CID 123877140
4-azido-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 86629801
N-[3-[diethoxy(methoxy)silyl]propyl]-2,3,4,5,6-pentafluorobenzamide
CID 90175282
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-azidobenzamide
CID 14697250

Frequently Asked Questions

What is the IUPAC name of 4-azido-2,3,5,6-tetrafluoro-N-(3-trimethoxysilylpropyl)benzamide;4-azido-N-(3-trimethoxysilylpropyl)benzamide;4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide?
The IUPAC name of 4-azido-2,3,5,6-tetrafluoro-N-(3-trimethoxysilylpropyl)benzamide;4-azido-N-(3-trimethoxysilylpropyl)benzamide;4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide (CID 159843457) is 4-azido-2,3,5,6-tetrafluoro-N-(3-trimethoxysilylpropyl)benzamide;4-azido-N-(3-trimethoxysilylpropyl)benzamide;4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide.
What is the SMILES notation for 4-azido-2,3,5,6-tetrafluoro-N-(3-trimethoxysilylpropyl)benzamide;4-azido-N-(3-trimethoxysilylpropyl)benzamide;4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide?
The canonical SMILES for 4-azido-2,3,5,6-tetrafluoro-N-(3-trimethoxysilylpropyl)benzamide;4-azido-N-(3-trimethoxysilylpropyl)benzamide;4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide is CO[Si](CCCNC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F)(OC)OC.CO[Si](CCCNC(=O)c1ccc(C(=O)c2ccccc2)cc1)(OC)OC.CO[Si](CCCNC(=O)c1ccc(N=[N+]=[N-])cc1)(OC)OC.
What is the InChIKey of 4-azido-2,3,5,6-tetrafluoro-N-(3-trimethoxysilylpropyl)benzamide;4-azido-N-(3-trimethoxysilylpropyl)benzamide;4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide?
The InChIKey is NOZGMIUHQMBBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5Si.C13H16F4N4O4Si.C13H20N4O4Si/c1-24-27(25-2,26-3)15-7-14-21-20(23)18-12-10-17(11-13-18)19(22)16-8-5-4-6-9-16;1-23-26(24-2,25-3)6-4-5-19-13(22)7-8(14)10(16)12(20-21-18)11(17)9(7)15;1-19-22(20-2,21-3)10-4-9-15-13(18)11-5-7-12(8-6-11)16-17-14/h4-6,8-13H,7,14-15H2,1-3H3,(H,21,23);4-6H2,1-3H3,(H,19,22);5-8H,4,9-10H2,1-3H3,(H,15,18).
What are the key properties of 4-azido-2,3,5,6-tetrafluoro-N-(3-trimethoxysilylpropyl)benzamide;4-azido-N-(3-trimethoxysilylpropyl)benzamide;4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide?
4-azido-2,3,5,6-tetrafluoro-N-(3-trimethoxysilylpropyl)benzamide;4-azido-N-(3-trimethoxysilylpropyl)benzamide;4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide has a molecular weight of 1108.29 g/mol, XLogP of 8.72, 28 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-2,3,5,6-tetrafluoro-N-(3-trimethoxysilylpropyl)benzamide;4-azido-N-(3-trimethoxysilylpropyl)benzamide;4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide is sourced from PubChem (CID 159843457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).