3-amino-N-(2-ethylcyclopropyl)-2-nitrobenzamide

C12H15N3O3 — CID 114109641

IUPAC3-amino-N-(2-ethylcyclopropyl)-2-nitrobenzamide
SMILESCCC1CC1NC(=O)c1cccc(N)c1[N+](=O)[O-]
InChIInChI=1S/C12H15N3O3/c1-2-7-6-10(7)14-12(16)8-4-3-5-9(13)11(8)15(17)18/h3-5,7,10H,2,6,13H2,1H3,(H,14,16)
InChIKeyFYADLRDVKHDORV-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.71
Rot. Bonds4

About 3-amino-N-(2-ethylcyclopropyl)-2-nitrobenzamide

3-amino-N-(2-ethylcyclopropyl)-2-nitrobenzamide (PubChem CID 114109641) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-amino-N-(2-ethylcyclopropyl)-2-nitrobenzamide.

Molecular Properties

Compound Name3-amino-N-(2-ethylcyclopropyl)-2-nitrobenzamide
PubChem CID114109641
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name3-amino-N-(2-ethylcyclopropyl)-2-nitrobenzamide
SMILESCCC1CC1NC(=O)c1cccc(N)c1[N+](=O)[O-]
InChIInChI=1S/C12H15N3O3/c1-2-7-6-10(7)14-12(16)8-4-3-5-9(13)11(8)15(17)18/h3-5,7,10H,2,6,13H2,1H3,(H,14,16)
InChIKeyFYADLRDVKHDORV-UHFFFAOYSA-N
XLogP1.71
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.71
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'}

Analyze 3-amino-N-(2-ethylcyclopropyl)-2-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

3-amino-N-(2-bicyclo[2.2.1]heptanyl)-2-nitrobenzamide
CID 115549152
3-amino-N-(2-methylcyclopentyl)-2-nitrobenzamide
CID 115549026
3-amino-N-cyclohexyl-2-nitrobenzamide
CID 115548193
3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-nitrobenzamide
CID 115548331
3-amino-N-(2-methylbutan-2-yl)-2-nitrobenzamide
CID 115548201
3-amino-N',N'-dimethyl-2-nitrobenzohydrazide
CID 83023174
3-amino-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide
CID 113333559
3-amino-N-(2,2-dicyclopropylethyl)-2-nitrobenzamide
CID 115549225
3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-nitrobenzamide
CID 115549268
3-amino-N-[2-(carbamoylamino)ethyl]-2-nitrobenzamide
CID 83115159
N-(2-ethylcyclopropyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 114109304
3-amino-N-[(1-methylcyclopentyl)methyl]-2-nitrobenzamide
CID 115549077

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethylcyclopropyl)-2-nitrobenzamide?
The IUPAC name of 3-amino-N-(2-ethylcyclopropyl)-2-nitrobenzamide (CID 114109641) is 3-amino-N-(2-ethylcyclopropyl)-2-nitrobenzamide.
What is the SMILES notation for 3-amino-N-(2-ethylcyclopropyl)-2-nitrobenzamide?
The canonical SMILES for 3-amino-N-(2-ethylcyclopropyl)-2-nitrobenzamide is CCC1CC1NC(=O)c1cccc(N)c1[N+](=O)[O-].
What is the InChIKey of 3-amino-N-(2-ethylcyclopropyl)-2-nitrobenzamide?
The InChIKey is FYADLRDVKHDORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-2-7-6-10(7)14-12(16)8-4-3-5-9(13)11(8)15(17)18/h3-5,7,10H,2,6,13H2,1H3,(H,14,16).
What are the key properties of 3-amino-N-(2-ethylcyclopropyl)-2-nitrobenzamide?
3-amino-N-(2-ethylcyclopropyl)-2-nitrobenzamide has a molecular weight of 249.27 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethylcyclopropyl)-2-nitrobenzamide is sourced from PubChem (CID 114109641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).