N-(azetidin-3-yl)-N-methyl-4-nitrobenzamide

C11H13N3O3 — CID 66185464

IUPACN-(azetidin-3-yl)-N-methyl-4-nitrobenzamide
SMILESCN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CNC1
InChIInChI=1S/C11H13N3O3/c1-13(10-6-12-7-10)11(15)8-2-4-9(5-3-8)14(16)17/h2-5,10,12H,6-7H2,1H3
InChIKeyIWKNSDZEPJIWAQ-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.64
Rot. Bonds3

About N-(azetidin-3-yl)-N-methyl-4-nitrobenzamide

N-(azetidin-3-yl)-N-methyl-4-nitrobenzamide (PubChem CID 66185464) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-methyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-methyl-4-nitrobenzamide
PubChem CID66185464
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC NameN-(azetidin-3-yl)-N-methyl-4-nitrobenzamide
SMILESCN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CNC1
InChIInChI=1S/C11H13N3O3/c1-13(10-6-12-7-10)11(15)8-2-4-9(5-3-8)14(16)17/h2-5,10,12H,6-7H2,1H3
InChIKeyIWKNSDZEPJIWAQ-UHFFFAOYSA-N
XLogP0.64
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(azetidin-3-yl)-N-methyl-4-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

N-(azetidin-3-yl)-2-chloro-N-methyl-5-nitrobenzamide
CID 66185472
N-(azetidin-3-yl)-4-iodo-N-methylbenzamide
CID 66186385
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-4-nitrobenzamide
CID 7064223
N-(azetidin-3-yl)-2-methoxy-N-methyl-4-nitrobenzamide
CID 104783836
N-(azetidin-3-yl)-N-methyl-4-methylsulfanylbenzamide
CID 79218052
N-(azetidin-3-yl)-N-methyl-5-nitro-1H-pyrrole-2-carboxamide
CID 66184997
N-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methyl-4-nitrobenzamide
CID 11637636
1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-methyl-3-(4-nitrophenyl)urea
CID 43596808
N-methyl-N-(4-nitrophenyl)pyrrolidin-3-amine
CID 63301700
1-methyl-3-(4-nitrophenyl)-1-pyrrolidin-3-ylurea
CID 63297706
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-nitrobenzamide
CID 43595788
(E)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide
CID 43595987

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-methyl-4-nitrobenzamide?
The IUPAC name of N-(azetidin-3-yl)-N-methyl-4-nitrobenzamide (CID 66185464) is N-(azetidin-3-yl)-N-methyl-4-nitrobenzamide.
What is the SMILES notation for N-(azetidin-3-yl)-N-methyl-4-nitrobenzamide?
The canonical SMILES for N-(azetidin-3-yl)-N-methyl-4-nitrobenzamide is CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-methyl-4-nitrobenzamide?
The InChIKey is IWKNSDZEPJIWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-13(10-6-12-7-10)11(15)8-2-4-9(5-3-8)14(16)17/h2-5,10,12H,6-7H2,1H3.
What are the key properties of N-(azetidin-3-yl)-N-methyl-4-nitrobenzamide?
N-(azetidin-3-yl)-N-methyl-4-nitrobenzamide has a molecular weight of 235.24 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-methyl-4-nitrobenzamide is sourced from PubChem (CID 66185464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).