3-[(3-fluorophenyl)methoxy]-N-prop-2-enylazetidine-1-carboxamide

C14H17FN2O2 — CID 21345151

IUPAC3-[(3-fluorophenyl)methoxy]-N-prop-2-enylazetidine-1-carboxamide
SMILESC=CCNC(=O)N1CC(OCc2cccc(F)c2)C1
InChIInChI=1S/C14H17FN2O2/c1-2-6-16-14(18)17-8-13(9-17)19-10-11-4-3-5-12(15)7-11/h2-5,7,13H,1,6,8-10H2,(H,16,18)
InChIKeySNWKOBNROOHCDY-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.92
Rot. Bonds5

About 3-[(3-fluorophenyl)methoxy]-N-prop-2-enylazetidine-1-carboxamide

3-[(3-fluorophenyl)methoxy]-N-prop-2-enylazetidine-1-carboxamide (PubChem CID 21345151) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methoxy]-N-prop-2-enylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methoxy]-N-prop-2-enylazetidine-1-carboxamide
PubChem CID21345151
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name3-[(3-fluorophenyl)methoxy]-N-prop-2-enylazetidine-1-carboxamide
SMILESC=CCNC(=O)N1CC(OCc2cccc(F)c2)C1
InChIInChI=1S/C14H17FN2O2/c1-2-6-16-14(18)17-8-13(9-17)19-10-11-4-3-5-12(15)7-11/h2-5,7,13H,1,6,8-10H2,(H,16,18)
InChIKeySNWKOBNROOHCDY-UHFFFAOYSA-N
XLogP1.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(3-fluorophenyl)methoxy]-N-prop-2-enylazetidine-1-carboxamide 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

6-[(3-fluorophenyl)methoxy]-3-oxo-4-prop-2-enyl-1,4-diazepane-1-carboxylic acid
CID 122540064
(3R)-N-(3-chlorophenyl)-3-[(3-fluorophenyl)methoxy]piperidine-1-carboxamide
CID 93224006
1-(3-fluorophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 110465285
[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone
CID 42844148
4-acetyl-6-[(3-fluorophenyl)methoxy]-1-[(3-methylphenyl)methyl]-1,4-diazepan-2-one
CID 122540039
(6R)-4-(2,2-dimethylpropanoyl)-6-[(3-fluorophenyl)methoxy]-1-(2-methylpropyl)-1,4-diazepan-2-one
CID 26234568
(6S)-4-(2,2-dimethylpropanoyl)-6-[(3-fluorophenyl)methoxy]-1-(2-methylpropyl)-1,4-diazepan-2-one
CID 26234567
(4R)-4-[3-[(3-fluorophenyl)methoxy]azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 125162628
1-(2,4-difluorophenyl)sulfonyl-3-[(3-fluorophenyl)methoxy]azetidine
CID 53008553
(3,4-dichlorophenyl)-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844152
4-acetyl-6-[(3-fluorophenyl)methoxy]-1-[(2-methoxyphenyl)methyl]-1,4-diazepan-2-one
CID 122540062
(6S)-6-[(3-fluorophenyl)methoxy]-4-(2-methoxyacetyl)-1-(2-phenylethyl)-1,4-diazepan-2-one
CID 26223405

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methoxy]-N-prop-2-enylazetidine-1-carboxamide?
The IUPAC name of 3-[(3-fluorophenyl)methoxy]-N-prop-2-enylazetidine-1-carboxamide (CID 21345151) is 3-[(3-fluorophenyl)methoxy]-N-prop-2-enylazetidine-1-carboxamide.
What is the SMILES notation for 3-[(3-fluorophenyl)methoxy]-N-prop-2-enylazetidine-1-carboxamide?
The canonical SMILES for 3-[(3-fluorophenyl)methoxy]-N-prop-2-enylazetidine-1-carboxamide is C=CCNC(=O)N1CC(OCc2cccc(F)c2)C1.
What is the InChIKey of 3-[(3-fluorophenyl)methoxy]-N-prop-2-enylazetidine-1-carboxamide?
The InChIKey is SNWKOBNROOHCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-2-6-16-14(18)17-8-13(9-17)19-10-11-4-3-5-12(15)7-11/h2-5,7,13H,1,6,8-10H2,(H,16,18).
What are the key properties of 3-[(3-fluorophenyl)methoxy]-N-prop-2-enylazetidine-1-carboxamide?
3-[(3-fluorophenyl)methoxy]-N-prop-2-enylazetidine-1-carboxamide has a molecular weight of 264.30 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methoxy]-N-prop-2-enylazetidine-1-carboxamide is sourced from PubChem (CID 21345151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).