N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-nitroanilino)acetamide;hydrochloride

C15H21ClN4O3 — CID 119458031

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-nitroanilino)acetamide;hydrochloride
SMILESCl.O=C(CNc1ccccc1[N+](=O)[O-])NC1CC2CCC(C1)N2
InChIInChI=1S/C15H20N4O3.ClH/c20-15(18-12-7-10-5-6-11(8-12)17-10)9-16-13-3-1-2-4-14(13)19(21)22;/h1-4,10-12,16-17H,5-9H2,(H,18,20);1H
InChIKeyQVSVQMUUYWAPSD-UHFFFAOYSA-N
MW340.81 g/mol
LogP1.83
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-nitroanilino)acetamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-nitroanilino)acetamide;hydrochloride (PubChem CID 119458031) has the molecular formula C15H21ClN4O3 and a molecular weight of 340.81 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-nitroanilino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-nitroanilino)acetamide;hydrochloride
PubChem CID119458031
Molecular FormulaC15H21ClN4O3
Molecular Weight340.81 g/mol
Exact Mass340.13
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-nitroanilino)acetamide;hydrochloride
SMILESCl.O=C(CNc1ccccc1[N+](=O)[O-])NC1CC2CCC(C1)N2
InChIInChI=1S/C15H20N4O3.ClH/c20-15(18-12-7-10-5-6-11(8-12)17-10)9-16-13-3-1-2-4-14(13)19(21)22;/h1-4,10-12,16-17H,5-9H2,(H,18,20);1H
InChIKeyQVSVQMUUYWAPSD-UHFFFAOYSA-N
XLogP1.83
TPSA96.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 51.83
H-Bond Donors ≤ 53
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 N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-nitroanilino)acetamide;hydrochloride 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-(2-methylpiperidin-4-yl)-2-(2-nitroanilino)acetamide;hydrochloride
CID 120599838
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(2-nitroanilino)acetamide
CID 102554767
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-nitrobenzamide
CID 61237722
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(benzylamino)-3-nitrobenzamide;hydrochloride
CID 119459195
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-(2-nitroanilino)acetamide
CID 100850407
2-(2-nitroanilino)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119536497
2-(2-nitroanilino)-N-propylacetamide
CID 43398638
N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-nitroanilino)acetamide
CID 110000865
N-(2-aminoethyl)-2-(2-nitroanilino)acetamide
CID 119384296
N-cyclopropyl-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide
CID 9053004
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-nitrobenzamide
CID 43400441
N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 119457551

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-nitroanilino)acetamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-nitroanilino)acetamide;hydrochloride (CID 119458031) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-nitroanilino)acetamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-nitroanilino)acetamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-nitroanilino)acetamide;hydrochloride is Cl.O=C(CNc1ccccc1[N+](=O)[O-])NC1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-nitroanilino)acetamide;hydrochloride?
The InChIKey is QVSVQMUUYWAPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3.ClH/c20-15(18-12-7-10-5-6-11(8-12)17-10)9-16-13-3-1-2-4-14(13)19(21)22;/h1-4,10-12,16-17H,5-9H2,(H,18,20);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-nitroanilino)acetamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-nitroanilino)acetamide;hydrochloride has a molecular weight of 340.81 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-nitroanilino)acetamide;hydrochloride is sourced from PubChem (CID 119458031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).