3-amino-2-cyclohexyl-N-oxobenzamide

C13H16N2O2 — CID 121365691

IUPAC3-amino-2-cyclohexyl-N-oxobenzamide
SMILESNc1cccc(C(=O)N=O)c1C1CCCCC1
InChIInChI=1S/C13H16N2O2/c14-11-8-4-7-10(13(16)15-17)12(11)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6,14H2
InChIKeyWPXPSSORKPDYSB-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.22
Rot. Bonds2

About 3-amino-2-cyclohexyl-N-oxobenzamide

3-amino-2-cyclohexyl-N-oxobenzamide (PubChem CID 121365691) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-amino-2-cyclohexyl-N-oxobenzamide.

Molecular Properties

Compound Name3-amino-2-cyclohexyl-N-oxobenzamide
PubChem CID121365691
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-amino-2-cyclohexyl-N-oxobenzamide
SMILESNc1cccc(C(=O)N=O)c1C1CCCCC1
InChIInChI=1S/C13H16N2O2/c14-11-8-4-7-10(13(16)15-17)12(11)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6,14H2
InChIKeyWPXPSSORKPDYSB-UHFFFAOYSA-N
XLogP3.22
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyl-N-oxobenzamide
CID 88502086
(3-amino-2-cyclopentylphenyl)boronic acid
CID 68783806
2-cyclohexyl-3-hydroxybenzoic acid
CID 141251925
3-amino-2-(4-cyclohexylbenzoyl)benzoic acid
CID 152596617
3-chloro-2-cyclobutylaniline
CID 68788107
bis[2-cyclohexyl-3-(piperidin-1-ylmethyl)phenyl]methanone
CID 73011633
cycloheptyl 3-amino-2-hydroxybenzoate
CID 113386635
fluoro 2-cyclohexyl-3-fluorobenzoate
CID 174798429
2-cyclobutyl-3-fluorobenzamide
CID 89477243
cyclohexyl 2-aminobenzoate
CID 24510
3-cyclohexyl-2-fluorobenzamide
CID 142776335
3-amino-N-cyclohexyl-2-hydroxy-N-methylbenzamide
CID 58736495

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclohexyl-N-oxobenzamide?
The IUPAC name of 3-amino-2-cyclohexyl-N-oxobenzamide (CID 121365691) is 3-amino-2-cyclohexyl-N-oxobenzamide.
What is the SMILES notation for 3-amino-2-cyclohexyl-N-oxobenzamide?
The canonical SMILES for 3-amino-2-cyclohexyl-N-oxobenzamide is Nc1cccc(C(=O)N=O)c1C1CCCCC1.
What is the InChIKey of 3-amino-2-cyclohexyl-N-oxobenzamide?
The InChIKey is WPXPSSORKPDYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c14-11-8-4-7-10(13(16)15-17)12(11)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6,14H2.
What are the key properties of 3-amino-2-cyclohexyl-N-oxobenzamide?
3-amino-2-cyclohexyl-N-oxobenzamide has a molecular weight of 232.28 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclohexyl-N-oxobenzamide is sourced from PubChem (CID 121365691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).