4-nitro-N-(3-silylpropyl)benzamide

C10H14N2O3Si — CID 123594916

IUPAC4-nitro-N-(3-silylpropyl)benzamide
SMILESO=C(NCCC[SiH3])c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H14N2O3Si/c13-10(11-6-1-7-16)8-2-4-9(5-3-8)12(14)15/h2-5H,1,6-7H2,16H3,(H,11,13)
InChIKeyTVWKGWZGOBWSFW-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.50
Rot. Bonds5

About 4-nitro-N-(3-silylpropyl)benzamide

4-nitro-N-(3-silylpropyl)benzamide (PubChem CID 123594916) has the molecular formula C10H14N2O3Si and a molecular weight of 238.32 g/mol. Its IUPAC name is 4-nitro-N-(3-silylpropyl)benzamide.

Molecular Properties

Compound Name4-nitro-N-(3-silylpropyl)benzamide
PubChem CID123594916
Molecular FormulaC10H14N2O3Si
Molecular Weight238.32 g/mol
Exact Mass238.08
IUPAC Name4-nitro-N-(3-silylpropyl)benzamide
SMILESO=C(NCCC[SiH3])c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H14N2O3Si/c13-10(11-6-1-7-16)8-2-4-9(5-3-8)12(14)15/h2-5H,1,6-7H2,16H3,(H,11,13)
InChIKeyTVWKGWZGOBWSFW-UHFFFAOYSA-N
XLogP0.50
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 23358530
CID 23358530
N-(3-chloropropyl)-4-nitrobenzamide
CID 3421653
sodium 4-[(4-nitrobenzoyl)amino]butanoate
CID 133269640
tert-butyl-[3-[(4-nitrobenzoyl)amino]propyl]azanium
CID 9089828
N-[3-(diethylamino)propyl]-4-nitrobenzamide
CID 3278137
N-(2-cyanoethyl)-4-nitrobenzamide
CID 517993
4-nitro-N-(7-nitro-6-oxoheptyl)benzamide
CID 2345171
N-(4-azidobutyl)-4-nitrobenzamide
CID 114182192
N-[3-(2-chloroethoxy)propyl]-4-nitrobenzamide
CID 114171314
4-nitro-N-[2-(propanoylamino)ethyl]benzamide
CID 4153316
N-(2-ethylsulfonylethyl)-4-nitrobenzamide
CID 51108652
(2S)-2,6-bis[(4-nitrobenzoyl)amino]hexanoate
CID 7109452

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-(3-silylpropyl)benzamide?
The IUPAC name of 4-nitro-N-(3-silylpropyl)benzamide (CID 123594916) is 4-nitro-N-(3-silylpropyl)benzamide.
What is the SMILES notation for 4-nitro-N-(3-silylpropyl)benzamide?
The canonical SMILES for 4-nitro-N-(3-silylpropyl)benzamide is O=C(NCCC[SiH3])c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-(3-silylpropyl)benzamide?
The InChIKey is TVWKGWZGOBWSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3Si/c13-10(11-6-1-7-16)8-2-4-9(5-3-8)12(14)15/h2-5H,1,6-7H2,16H3,(H,11,13).
What are the key properties of 4-nitro-N-(3-silylpropyl)benzamide?
4-nitro-N-(3-silylpropyl)benzamide has a molecular weight of 238.32 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(3-silylpropyl)benzamide is sourced from PubChem (CID 123594916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).