3-nitro-4-(3-oxocyclopentyl)oxybenzamide

C12H12N2O5 — CID 79643110

IUPAC3-nitro-4-(3-oxocyclopentyl)oxybenzamide
SMILESNC(=O)c1ccc(OC2CCC(=O)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H12N2O5/c13-12(16)7-1-4-11(10(5-7)14(17)18)19-9-3-2-8(15)6-9/h1,4-5,9H,2-3,6H2,(H2,13,16)
InChIKeyLGMRRFRTKZSDLP-UHFFFAOYSA-N
MW264.24 g/mol
LogP1.19
Rot. Bonds4

About 3-nitro-4-(3-oxocyclopentyl)oxybenzamide

3-nitro-4-(3-oxocyclopentyl)oxybenzamide (PubChem CID 79643110) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is 3-nitro-4-(3-oxocyclopentyl)oxybenzamide.

Molecular Properties

Compound Name3-nitro-4-(3-oxocyclopentyl)oxybenzamide
PubChem CID79643110
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name3-nitro-4-(3-oxocyclopentyl)oxybenzamide
SMILESNC(=O)c1ccc(OC2CCC(=O)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H12N2O5/c13-12(16)7-1-4-11(10(5-7)14(17)18)19-9-3-2-8(15)6-9/h1,4-5,9H,2-3,6H2,(H2,13,16)
InChIKeyLGMRRFRTKZSDLP-UHFFFAOYSA-N
XLogP1.19
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 51.19
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'}

Analyze 3-nitro-4-(3-oxocyclopentyl)oxybenzamide 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-(3-oxocyclopentyl)oxybenzamide
CID 79644045
tert-butyl (3S)-3-(4-carbamoyl-2-nitrophenoxy)piperidine-1-carboxylate
CID 86635655
3-(4-ethyl-2-nitrophenoxy)cyclohexan-1-one
CID 79625164
4-cycloheptyloxy-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 76934909
3-nitro-4-[2-(2-oxocyclopentyl)ethoxy]benzamide
CID 79577781
3-nitro-4-(3-oxobutan-2-yloxy)benzamide
CID 62034378
4-bromo-1-cyclobutyloxy-2-nitrobenzene
CID 62141791
4-[(1-methyl-6-oxopiperidin-3-yl)amino]-3-nitrobenzamide
CID 64669798
3-[3-(methylaminomethyl)cyclobutyl]oxy-4-nitrobenzamide
CID 82988322
4-(2-amino-2-methylpropoxy)-3-nitrobenzamide
CID 64537194
3-(cyclohexylamino)-4-nitrobenzamide
CID 82994813
4-[(3-aminocyclobutyl)amino]-3-nitrobenzamide
CID 43599311

Frequently Asked Questions

What is the IUPAC name of 3-nitro-4-(3-oxocyclopentyl)oxybenzamide?
The IUPAC name of 3-nitro-4-(3-oxocyclopentyl)oxybenzamide (CID 79643110) is 3-nitro-4-(3-oxocyclopentyl)oxybenzamide.
What is the SMILES notation for 3-nitro-4-(3-oxocyclopentyl)oxybenzamide?
The canonical SMILES for 3-nitro-4-(3-oxocyclopentyl)oxybenzamide is NC(=O)c1ccc(OC2CCC(=O)C2)c([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-4-(3-oxocyclopentyl)oxybenzamide?
The InChIKey is LGMRRFRTKZSDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5/c13-12(16)7-1-4-11(10(5-7)14(17)18)19-9-3-2-8(15)6-9/h1,4-5,9H,2-3,6H2,(H2,13,16).
What are the key properties of 3-nitro-4-(3-oxocyclopentyl)oxybenzamide?
3-nitro-4-(3-oxocyclopentyl)oxybenzamide has a molecular weight of 264.24 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-4-(3-oxocyclopentyl)oxybenzamide is sourced from PubChem (CID 79643110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).