N-[3-(3-fluorophenyl)oxetan-3-yl]prop-2-enamide

C12H12FNO2 — CID 166418894

IUPACN-[3-(3-fluorophenyl)oxetan-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1(c2cccc(F)c2)COC1
InChIInChI=1S/C12H12FNO2/c1-2-11(15)14-12(7-16-8-12)9-4-3-5-10(13)6-9/h2-6H,1,7-8H2,(H,14,15)
InChIKeyFHFXMGDBBHFBIT-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.35
Rot. Bonds3

About N-[3-(3-fluorophenyl)oxetan-3-yl]prop-2-enamide

N-[3-(3-fluorophenyl)oxetan-3-yl]prop-2-enamide (PubChem CID 166418894) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)oxetan-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)oxetan-3-yl]prop-2-enamide
PubChem CID166418894
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC NameN-[3-(3-fluorophenyl)oxetan-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1(c2cccc(F)c2)COC1
InChIInChI=1S/C12H12FNO2/c1-2-11(15)14-12(7-16-8-12)9-4-3-5-10(13)6-9/h2-6H,1,7-8H2,(H,14,15)
InChIKeyFHFXMGDBBHFBIT-UHFFFAOYSA-N
XLogP1.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-(3-fluorophenyl)oxetan-3-yl]prop-2-enamide 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

(E)-N-[1-(3-fluorophenyl)cyclopropyl]but-2-enamide
CID 110478087
(E)-N-[4-(3-fluorophenyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide
CID 75407979
4-fluoro-N-(3-phenyloxetan-3-yl)benzamide
CID 139015652
N-[1-(3-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide
CID 110479683
2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide
CID 166403981
N-[4-(3-fluorophenyl)oxan-4-yl]formamide
CID 175327323
N-[4-(3-fluorophenyl)oxan-4-yl]furan-3-carboxamide
CID 71993760
4-(aminomethyl)-N-[4-(3-fluorophenyl)oxan-4-yl]benzamide
CID 119342225
7-amino-N-[4-(3-fluorophenyl)oxan-4-yl]heptanamide;hydrochloride
CID 119816174
(2S)-2-amino-N-[1-(3-fluorophenyl)cyclopropyl]propanamide
CID 119332670
2-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976524
N-[2-(3-methoxyphenyl)spiro[3.3]heptan-2-yl]prop-2-enamide
CID 166428308

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)oxetan-3-yl]prop-2-enamide?
The IUPAC name of N-[3-(3-fluorophenyl)oxetan-3-yl]prop-2-enamide (CID 166418894) is N-[3-(3-fluorophenyl)oxetan-3-yl]prop-2-enamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)oxetan-3-yl]prop-2-enamide?
The canonical SMILES for N-[3-(3-fluorophenyl)oxetan-3-yl]prop-2-enamide is C=CC(=O)NC1(c2cccc(F)c2)COC1.
What is the InChIKey of N-[3-(3-fluorophenyl)oxetan-3-yl]prop-2-enamide?
The InChIKey is FHFXMGDBBHFBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-2-11(15)14-12(7-16-8-12)9-4-3-5-10(13)6-9/h2-6H,1,7-8H2,(H,14,15).
What are the key properties of N-[3-(3-fluorophenyl)oxetan-3-yl]prop-2-enamide?
N-[3-(3-fluorophenyl)oxetan-3-yl]prop-2-enamide has a molecular weight of 221.23 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)oxetan-3-yl]prop-2-enamide is sourced from PubChem (CID 166418894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).