4-amino-N-cyclopentyl-3-nitrobenzamide

C12H15N3O3 — CID 25466600

IUPAC4-amino-N-cyclopentyl-3-nitrobenzamide
SMILESNc1ccc(C(=O)NC2CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H15N3O3/c13-10-6-5-8(7-11(10)15(17)18)12(16)14-9-3-1-2-4-9/h5-7,9H,1-4,13H2,(H,14,16)
InChIKeyYUZBYKFODBFYSW-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.85
Rot. Bonds3

About 4-amino-N-cyclopentyl-3-nitrobenzamide

4-amino-N-cyclopentyl-3-nitrobenzamide (PubChem CID 25466600) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-amino-N-cyclopentyl-3-nitrobenzamide.

Molecular Properties

Compound Name4-amino-N-cyclopentyl-3-nitrobenzamide
PubChem CID25466600
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name4-amino-N-cyclopentyl-3-nitrobenzamide
SMILESNc1ccc(C(=O)NC2CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H15N3O3/c13-10-6-5-8(7-11(10)15(17)18)12(16)14-9-3-1-2-4-9/h5-7,9H,1-4,13H2,(H,14,16)
InChIKeyYUZBYKFODBFYSW-UHFFFAOYSA-N
XLogP1.85
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-methylcyclopentyl)-3-nitrobenzamide
CID 114540566
4-amino-N-[2-(cycloheptylamino)ethyl]-3-nitrobenzamide;hydrochloride
CID 119621228
N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide
CID 2959407
4-chloro-N-cyclobutyl-3-nitrobenzamide
CID 62415356
4-amino-N-(3-methylsulfanylcyclopentyl)-3-nitrobenzamide
CID 103708443
N-cyclohexyl-4-methoxy-3-nitrobenzamide
CID 711599
N-cyclopentyl-3-nitro-4-piperidin-1-ylbenzamide
CID 23738990
N-cycloheptyl-3-nitro-4-piperidin-1-ylbenzamide
CID 7312159
N-cyclododecyl-4-nitrobenzamide
CID 19168070
4-amino-N-[2-(aminomethyl)cyclopentyl]-3-nitrobenzamide;hydrochloride
CID 119604801
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
N-cyclopentyl-3-(2-hydroxyethyl)-4-nitrobenzamide
CID 141451365

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopentyl-3-nitrobenzamide?
The IUPAC name of 4-amino-N-cyclopentyl-3-nitrobenzamide (CID 25466600) is 4-amino-N-cyclopentyl-3-nitrobenzamide.
What is the SMILES notation for 4-amino-N-cyclopentyl-3-nitrobenzamide?
The canonical SMILES for 4-amino-N-cyclopentyl-3-nitrobenzamide is Nc1ccc(C(=O)NC2CCCC2)cc1[N+](=O)[O-].
What is the InChIKey of 4-amino-N-cyclopentyl-3-nitrobenzamide?
The InChIKey is YUZBYKFODBFYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c13-10-6-5-8(7-11(10)15(17)18)12(16)14-9-3-1-2-4-9/h5-7,9H,1-4,13H2,(H,14,16).
What are the key properties of 4-amino-N-cyclopentyl-3-nitrobenzamide?
4-amino-N-cyclopentyl-3-nitrobenzamide has a molecular weight of 249.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopentyl-3-nitrobenzamide is sourced from PubChem (CID 25466600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).