N-cyclooctyl-3,5-dinitrobenzamide

C15H19N3O5 — CID 4130171

IUPACN-cyclooctyl-3,5-dinitrobenzamide
SMILESO=C(NC1CCCCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C15H19N3O5/c19-15(16-12-6-4-2-1-3-5-7-12)11-8-13(17(20)21)10-14(9-11)18(22)23/h8-10,12H,1-7H2,(H,16,19)
InChIKeyHCUGZFVNLUGBBP-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.35
Rot. Bonds4

About N-cyclooctyl-3,5-dinitrobenzamide

N-cyclooctyl-3,5-dinitrobenzamide (PubChem CID 4130171) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is N-cyclooctyl-3,5-dinitrobenzamide.

Molecular Properties

Compound NameN-cyclooctyl-3,5-dinitrobenzamide
PubChem CID4130171
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC NameN-cyclooctyl-3,5-dinitrobenzamide
SMILESO=C(NC1CCCCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C15H19N3O5/c19-15(16-12-6-4-2-1-3-5-7-12)11-8-13(17(20)21)10-14(9-11)18(22)23/h8-10,12H,1-7H2,(H,16,19)
InChIKeyHCUGZFVNLUGBBP-UHFFFAOYSA-N
XLogP3.35
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N,3-N-dicyclopentyl-5-nitrobenzene-1,3-dicarboxamide
CID 4058305
N-cyclododecyl-4-nitrobenzamide
CID 19168070
ethyl 3-(cyclohexylcarbamoyl)-5-nitrobenzoate
CID 43002742
3-(cyclopropylcarbamoyl)-5-nitrobenzoic acid
CID 69078594
3-bromo-N-cyclopropyl-5-nitrobenzamide
CID 26369865
N-cyclobutyl-3-nitro-5-sulfamoylbenzamide
CID 65388072
2-chloro-N-cyclohexyl-5-[(3,5-dinitrobenzoyl)amino]benzamide
CID 17188414
3-chloro-N-(4-chlorocyclohexyl)-5-nitrobenzamide
CID 114297283
N-(1,1-dioxothiolan-3-yl)-3,5-dinitrobenzamide
CID 5182225
N-(4-aminocyclohexyl)-3-fluoro-5-nitrobenzamide
CID 81478632
4-amino-N-cyclopentyl-3-nitrobenzamide
CID 25466600
N-cyclohexyl-2-(3-nitrophenyl)pyrimidine-5-carboxamide
CID 5035480

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-3,5-dinitrobenzamide?
The IUPAC name of N-cyclooctyl-3,5-dinitrobenzamide (CID 4130171) is N-cyclooctyl-3,5-dinitrobenzamide.
What is the SMILES notation for N-cyclooctyl-3,5-dinitrobenzamide?
The canonical SMILES for N-cyclooctyl-3,5-dinitrobenzamide is O=C(NC1CCCCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.
What is the InChIKey of N-cyclooctyl-3,5-dinitrobenzamide?
The InChIKey is HCUGZFVNLUGBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c19-15(16-12-6-4-2-1-3-5-7-12)11-8-13(17(20)21)10-14(9-11)18(22)23/h8-10,12H,1-7H2,(H,16,19).
What are the key properties of N-cyclooctyl-3,5-dinitrobenzamide?
N-cyclooctyl-3,5-dinitrobenzamide has a molecular weight of 321.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-3,5-dinitrobenzamide is sourced from PubChem (CID 4130171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).