2-(azetidin-3-yl)-N-(2-fluoro-5-nitrophenyl)propanamide

C12H14FN3O3 — CID 116674855

IUPAC2-(azetidin-3-yl)-N-(2-fluoro-5-nitrophenyl)propanamide
SMILESCC(C(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CNC1
InChIInChI=1S/C12H14FN3O3/c1-7(8-5-14-6-8)12(17)15-11-4-9(16(18)19)2-3-10(11)13/h2-4,7-8,14H,5-6H2,1H3,(H,15,17)
InChIKeyAMYGXSOSWWFTNO-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.53
Rot. Bonds4

About 2-(azetidin-3-yl)-N-(2-fluoro-5-nitrophenyl)propanamide

2-(azetidin-3-yl)-N-(2-fluoro-5-nitrophenyl)propanamide (PubChem CID 116674855) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(2-fluoro-5-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(2-fluoro-5-nitrophenyl)propanamide
PubChem CID116674855
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC Name2-(azetidin-3-yl)-N-(2-fluoro-5-nitrophenyl)propanamide
SMILESCC(C(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CNC1
InChIInChI=1S/C12H14FN3O3/c1-7(8-5-14-6-8)12(17)15-11-4-9(16(18)19)2-3-10(11)13/h2-4,7-8,14H,5-6H2,1H3,(H,15,17)
InChIKeyAMYGXSOSWWFTNO-UHFFFAOYSA-N
XLogP1.53
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.53
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-(2-fluoro-5-nitrophenyl)propanamide 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-(2-cyano-4-nitrophenyl)propanamide
CID 116675682
2-(azetidin-3-yl)-N-(2-fluoro-5-methoxyphenyl)propanamide
CID 116678455
(2S)-N-(2-fluoro-5-nitrophenyl)-2-methylbutanamide
CID 7270057
3-chloro-N-(2-fluoro-5-nitrophenyl)-2-methylpropanamide
CID 55110565
2-(azetidin-3-yl)-N-(4,5-dimethyl-2-nitrophenyl)propanamide
CID 116677616
N-(2-fluoro-5-nitrophenyl)-2-methylpentanamide
CID 2905787
2-amino-N-(2-fluoro-5-nitrophenyl)butanamide
CID 60779876
(2S)-2-amino-N-(2-fluoro-5-nitrophenyl)-3,3-dimethylbutanamide
CID 61155225
N-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide
CID 675675
3-[(2-fluoro-5-nitrophenyl)carbamoylamino]butanoic acid
CID 61197131
2-(aminomethyl)-N-(2-fluoro-5-nitrophenyl)butanamide
CID 65225442
2-(azetidin-3-yl)-N-(3-chloro-4-nitrophenyl)propanamide
CID 116678757

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(2-fluoro-5-nitrophenyl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(2-fluoro-5-nitrophenyl)propanamide (CID 116674855) is 2-(azetidin-3-yl)-N-(2-fluoro-5-nitrophenyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(2-fluoro-5-nitrophenyl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(2-fluoro-5-nitrophenyl)propanamide is CC(C(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(2-fluoro-5-nitrophenyl)propanamide?
The InChIKey is AMYGXSOSWWFTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3/c1-7(8-5-14-6-8)12(17)15-11-4-9(16(18)19)2-3-10(11)13/h2-4,7-8,14H,5-6H2,1H3,(H,15,17).
What are the key properties of 2-(azetidin-3-yl)-N-(2-fluoro-5-nitrophenyl)propanamide?
2-(azetidin-3-yl)-N-(2-fluoro-5-nitrophenyl)propanamide has a molecular weight of 267.26 g/mol, XLogP of 1.53, 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-(2-fluoro-5-nitrophenyl)propanamide is sourced from PubChem (CID 116674855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).