N-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide

C11H13N3O3 — CID 113265632

IUPACN-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide
SMILESO=C(Cc1cccc([N+](=O)[O-])c1)NC1CNC1
InChIInChI=1S/C11H13N3O3/c15-11(13-9-6-12-7-9)5-8-2-1-3-10(4-8)14(16)17/h1-4,9,12H,5-7H2,(H,13,15)
InChIKeyKELGSZVGHQLBLW-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.23
Rot. Bonds4

About N-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide

N-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide (PubChem CID 113265632) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide
PubChem CID113265632
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC NameN-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide
SMILESO=C(Cc1cccc([N+](=O)[O-])c1)NC1CNC1
InChIInChI=1S/C11H13N3O3/c15-11(13-9-6-12-7-9)5-8-2-1-3-10(4-8)14(16)17/h1-4,9,12H,5-7H2,(H,13,15)
InChIKeyKELGSZVGHQLBLW-UHFFFAOYSA-N
XLogP0.23
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.23
H-Bond Donors ≤ 52
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'}

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Related Compounds

1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(3-nitrophenyl)ethanone
CID 104541093
2-(3-nitrophenyl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 91660403
sodium 2-(3-nitrophenyl)acetate
CID 20571503
N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide
CID 115737499
N-cyclopropyl-2-[4-[(3-nitrophenyl)methylamino]phenyl]acetamide
CID 46158649
2-(3-nitrophenyl)-N-(piperidin-2-ylmethyl)acetamide
CID 115736889
N-(2-aminocyclohexyl)-2-(3-nitrophenyl)acetamide
CID 104541060
N-(4-methylpiperidin-4-yl)-2-(3-nitrophenyl)acetamide
CID 114696422
1-cyclopropyl-2-(3-nitrophenyl)ethanone
CID 147564014
N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119610894
2-(3-nitrophenyl)-N-prop-2-ynylacetamide
CID 115649182
N-(2-methylpiperidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 114695003

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide?
The IUPAC name of N-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide (CID 113265632) is N-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide?
The canonical SMILES for N-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide is O=C(Cc1cccc([N+](=O)[O-])c1)NC1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide?
The InChIKey is KELGSZVGHQLBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c15-11(13-9-6-12-7-9)5-8-2-1-3-10(4-8)14(16)17/h1-4,9,12H,5-7H2,(H,13,15).
What are the key properties of N-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide?
N-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide has a molecular weight of 235.24 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide is sourced from PubChem (CID 113265632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).