2-(azetidin-3-yl)-N-(4-fluoro-2-nitrophenyl)acetamide

C11H12FN3O3 — CID 64615986

IUPAC2-(azetidin-3-yl)-N-(4-fluoro-2-nitrophenyl)acetamide
SMILESO=C(CC1CNC1)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H12FN3O3/c12-8-1-2-9(10(4-8)15(17)18)14-11(16)3-7-5-13-6-7/h1-2,4,7,13H,3,5-6H2,(H,14,16)
InChIKeyRGLAAKJQKFAOLC-UHFFFAOYSA-N
MW253.23 g/mol
LogP1.28
Rot. Bonds4

About 2-(azetidin-3-yl)-N-(4-fluoro-2-nitrophenyl)acetamide

2-(azetidin-3-yl)-N-(4-fluoro-2-nitrophenyl)acetamide (PubChem CID 64615986) has the molecular formula C11H12FN3O3 and a molecular weight of 253.23 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(4-fluoro-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(4-fluoro-2-nitrophenyl)acetamide
PubChem CID64615986
Molecular FormulaC11H12FN3O3
Molecular Weight253.23 g/mol
Exact Mass253.09
IUPAC Name2-(azetidin-3-yl)-N-(4-fluoro-2-nitrophenyl)acetamide
SMILESO=C(CC1CNC1)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H12FN3O3/c12-8-1-2-9(10(4-8)15(17)18)14-11(16)3-7-5-13-6-7/h1-2,4,7,13H,3,5-6H2,(H,14,16)
InChIKeyRGLAAKJQKFAOLC-UHFFFAOYSA-N
XLogP1.28
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 51.28
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'}

Analyze 2-(azetidin-3-yl)-N-(4-fluoro-2-nitrophenyl)acetamide 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

2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide
CID 64616370
N-(4-fluoro-2-nitrophenyl)-2-pyrrolidin-2-ylacetamide
CID 61366590
2-(azetidin-3-yl)-N-(2-cyano-4-fluorophenyl)acetamide
CID 82015908
N-(4-bromo-2-nitrophenyl)-2-piperidin-3-ylacetamide
CID 62674890
[2-(4-fluoro-2-nitroanilino)-2-oxoethyl] 2-cyclohexylacetate
CID 4239986
2-[cycloheptyl(methyl)amino]-N-(4-fluoro-2-nitrophenyl)acetamide
CID 16961109
(4-fluoro-2-nitrophenyl)urea
CID 69476086
N-(4-fluoro-2-nitrophenyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 43599097
2-(azetidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 64617943
6-amino-N-(4-fluoro-2-nitrophenyl)-4,4-dimethylhexanamide
CID 65290458
4-amino-N-(4-fluoro-2-nitrophenyl)-3-methylbutanamide
CID 81075417
N-(4-fluoro-2-nitrophenyl)-4-methylpiperidine-4-carboxamide
CID 63121900

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(4-fluoro-2-nitrophenyl)acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(4-fluoro-2-nitrophenyl)acetamide (CID 64615986) is 2-(azetidin-3-yl)-N-(4-fluoro-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(4-fluoro-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(4-fluoro-2-nitrophenyl)acetamide is O=C(CC1CNC1)Nc1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of 2-(azetidin-3-yl)-N-(4-fluoro-2-nitrophenyl)acetamide?
The InChIKey is RGLAAKJQKFAOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3/c12-8-1-2-9(10(4-8)15(17)18)14-11(16)3-7-5-13-6-7/h1-2,4,7,13H,3,5-6H2,(H,14,16).
What are the key properties of 2-(azetidin-3-yl)-N-(4-fluoro-2-nitrophenyl)acetamide?
2-(azetidin-3-yl)-N-(4-fluoro-2-nitrophenyl)acetamide has a molecular weight of 253.23 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(4-fluoro-2-nitrophenyl)acetamide is sourced from PubChem (CID 64615986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).