N-[2-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-4-nitrobenzamide

C15H19N3O5 — CID 22344770

IUPACN-[2-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-4-nitrobenzamide
SMILESO=C(CC1CCCCC1NC(=O)c1ccc([N+](=O)[O-])cc1)NO
InChIInChI=1S/C15H19N3O5/c19-14(17-21)9-11-3-1-2-4-13(11)16-15(20)10-5-7-12(8-6-10)18(22)23/h5-8,11,13,21H,1-4,9H2,(H,16,20)(H,17,19)
InChIKeyXMLFTCHRMYUXFV-UHFFFAOYSA-N
MW321.33 g/mol
LogP1.78
Rot. Bonds5

About N-[2-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-4-nitrobenzamide

N-[2-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-4-nitrobenzamide (PubChem CID 22344770) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is N-[2-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[2-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-4-nitrobenzamide
PubChem CID22344770
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC NameN-[2-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-4-nitrobenzamide
SMILESO=C(CC1CCCCC1NC(=O)c1ccc([N+](=O)[O-])cc1)NO
InChIInChI=1S/C15H19N3O5/c19-14(17-21)9-11-3-1-2-4-13(11)16-15(20)10-5-7-12(8-6-10)18(22)23/h5-8,11,13,21H,1-4,9H2,(H,16,20)(H,17,19)
InChIKeyXMLFTCHRMYUXFV-UHFFFAOYSA-N
XLogP1.78
TPSA121.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-4-nitrobenzamide 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

N-[(1S,2S)-2-hydroxycyclopentyl]-4-nitrobenzamide
CID 95562447
N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-4-nitrobenzamide
CID 54037439
N-cyclododecyl-4-nitrobenzamide
CID 19168070
N-(2,3-dimethylcyclohexyl)-4-nitrobenzamide
CID 3684866
N-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-nitrobenzamide
CID 11630293
N-[(1R,2R)-2-azidocycloheptyl]-4-nitrobenzamide
CID 102037484
4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide
CID 103798607
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-nitrobenzamide
CID 11471353
N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-5-nitrobenzamide
CID 103751423
N-[2-(bromomethyl)cyclohexyl]-3-fluoro-5-nitrobenzamide
CID 106367066
N-[2-(aminomethyl)cyclohexyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 119611368
1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(4-nitrophenyl)ethyl]urea
CID 75424039

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-4-nitrobenzamide?
The IUPAC name of N-[2-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-4-nitrobenzamide (CID 22344770) is N-[2-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-4-nitrobenzamide.
What is the SMILES notation for N-[2-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-4-nitrobenzamide?
The canonical SMILES for N-[2-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-4-nitrobenzamide is O=C(CC1CCCCC1NC(=O)c1ccc([N+](=O)[O-])cc1)NO.
What is the InChIKey of N-[2-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-4-nitrobenzamide?
The InChIKey is XMLFTCHRMYUXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c19-14(17-21)9-11-3-1-2-4-13(11)16-15(20)10-5-7-12(8-6-10)18(22)23/h5-8,11,13,21H,1-4,9H2,(H,16,20)(H,17,19).
What are the key properties of N-[2-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-4-nitrobenzamide?
N-[2-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-4-nitrobenzamide has a molecular weight of 321.33 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-4-nitrobenzamide is sourced from PubChem (CID 22344770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).