(2S)-2-[3-(2-fluorophenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide

C15H19FN2O2 — CID 124757769

IUPAC(2S)-2-[3-(2-fluorophenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@H](C)N1CC(Oc2ccccc2F)C1
InChIInChI=1S/C15H19FN2O2/c1-3-8-17-15(19)11(2)18-9-12(10-18)20-14-7-5-4-6-13(14)16/h3-7,11-12H,1,8-10H2,2H3,(H,17,19)/t11-/m0/s1
InChIKeyXALBMCOVQAAVNF-NSHDSACASA-N
MW278.33 g/mol
LogP1.58
Rot. Bonds6

About (2S)-2-[3-(2-fluorophenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide

(2S)-2-[3-(2-fluorophenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide (PubChem CID 124757769) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is (2S)-2-[3-(2-fluorophenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(2S)-2-[3-(2-fluorophenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide
PubChem CID124757769
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name(2S)-2-[3-(2-fluorophenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@H](C)N1CC(Oc2ccccc2F)C1
InChIInChI=1S/C15H19FN2O2/c1-3-8-17-15(19)11(2)18-9-12(10-18)20-14-7-5-4-6-13(14)16/h3-7,11-12H,1,8-10H2,2H3,(H,17,19)/t11-/m0/s1
InChIKeyXALBMCOVQAAVNF-NSHDSACASA-N
XLogP1.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S)-2-[3-(2-fluorophenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide 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-[3-(2-methoxyphenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide
CID 91830261
(2R)-2-[3-(2-fluorophenoxy)azetidin-1-yl]-N-(2-methylpropyl)propanamide
CID 125169498
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-prop-2-enylpropanamide;hydrochloride
CID 120761740
(2S)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-prop-2-enylpropanamide
CID 9493487
(2R)-2-(2-fluorophenoxy)-N-prop-2-enylbutanamide
CID 40747122
(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-prop-2-enylpropanamide
CID 94444756
(2S)-2-ethoxy-1-[3-(2-fluorophenoxy)azetidin-1-yl]propan-1-one
CID 126438416
(2S)-2-[(3R)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]-N-prop-2-enylpropanamide
CID 100839499
(2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 9493919
2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide
CID 43143434
(2S)-2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]-N-prop-2-enylpropanamide
CID 37388293
3-(2-fluorophenoxy)-N-[(2R)-1-methoxybutan-2-yl]azetidine-1-carboxamide
CID 126441973

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(2-fluorophenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide?
The IUPAC name of (2S)-2-[3-(2-fluorophenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide (CID 124757769) is (2S)-2-[3-(2-fluorophenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide.
What is the SMILES notation for (2S)-2-[3-(2-fluorophenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide?
The canonical SMILES for (2S)-2-[3-(2-fluorophenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide is C=CCNC(=O)[C@H](C)N1CC(Oc2ccccc2F)C1.
What is the InChIKey of (2S)-2-[3-(2-fluorophenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide?
The InChIKey is XALBMCOVQAAVNF-NSHDSACASA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-3-8-17-15(19)11(2)18-9-12(10-18)20-14-7-5-4-6-13(14)16/h3-7,11-12H,1,8-10H2,2H3,(H,17,19)/t11-/m0/s1.
What are the key properties of (2S)-2-[3-(2-fluorophenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide?
(2S)-2-[3-(2-fluorophenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide has a molecular weight of 278.33 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(2-fluorophenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 124757769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).