3-nitro-4-[2-(2-oxocyclopentyl)ethoxy]benzamide

C14H16N2O5 — CID 79577781

IUPAC3-nitro-4-[2-(2-oxocyclopentyl)ethoxy]benzamide
SMILESNC(=O)c1ccc(OCCC2CCCC2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C14H16N2O5/c15-14(18)10-4-5-13(11(8-10)16(19)20)21-7-6-9-2-1-3-12(9)17/h4-5,8-9H,1-3,6-7H2,(H2,15,18)
InChIKeySHCHRCNSSVMKBD-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.83
Rot. Bonds6

About 3-nitro-4-[2-(2-oxocyclopentyl)ethoxy]benzamide

3-nitro-4-[2-(2-oxocyclopentyl)ethoxy]benzamide (PubChem CID 79577781) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-nitro-4-[2-(2-oxocyclopentyl)ethoxy]benzamide.

Molecular Properties

Compound Name3-nitro-4-[2-(2-oxocyclopentyl)ethoxy]benzamide
PubChem CID79577781
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name3-nitro-4-[2-(2-oxocyclopentyl)ethoxy]benzamide
SMILESNC(=O)c1ccc(OCCC2CCCC2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C14H16N2O5/c15-14(18)10-4-5-13(11(8-10)16(19)20)21-7-6-9-2-1-3-12(9)17/h4-5,8-9H,1-3,6-7H2,(H2,15,18)
InChIKeySHCHRCNSSVMKBD-UHFFFAOYSA-N
XLogP1.83
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.83
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

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4-(2-amino-2-methylpropoxy)-3-nitrobenzamide
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4-(2,2-diethoxyethoxy)-3-nitrobenzamide
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4-(2-fluoroethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 80695376
3-nitro-4-(3-oxobutan-2-yloxy)benzamide
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4-[(6-methylmorpholin-2-yl)methoxy]-3-nitrobenzamide
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3-nitro-4-propoxybenzoyl chloride
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1-[4-(2-cyclohexyl-2-hydroxyethoxy)-3-nitrophenyl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 3-nitro-4-[2-(2-oxocyclopentyl)ethoxy]benzamide?
The IUPAC name of 3-nitro-4-[2-(2-oxocyclopentyl)ethoxy]benzamide (CID 79577781) is 3-nitro-4-[2-(2-oxocyclopentyl)ethoxy]benzamide.
What is the SMILES notation for 3-nitro-4-[2-(2-oxocyclopentyl)ethoxy]benzamide?
The canonical SMILES for 3-nitro-4-[2-(2-oxocyclopentyl)ethoxy]benzamide is NC(=O)c1ccc(OCCC2CCCC2=O)c([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-4-[2-(2-oxocyclopentyl)ethoxy]benzamide?
The InChIKey is SHCHRCNSSVMKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c15-14(18)10-4-5-13(11(8-10)16(19)20)21-7-6-9-2-1-3-12(9)17/h4-5,8-9H,1-3,6-7H2,(H2,15,18).
What are the key properties of 3-nitro-4-[2-(2-oxocyclopentyl)ethoxy]benzamide?
3-nitro-4-[2-(2-oxocyclopentyl)ethoxy]benzamide has a molecular weight of 292.29 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-4-[2-(2-oxocyclopentyl)ethoxy]benzamide is sourced from PubChem (CID 79577781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).