N-(3-benzyloxetan-3-yl)-2-fluoroprop-2-enamide

C13H14FNO2 — CID 167800308

IUPACN-(3-benzyloxetan-3-yl)-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)NC1(Cc2ccccc2)COC1
InChIInChI=1S/C13H14FNO2/c1-10(14)12(16)15-13(8-17-9-13)7-11-5-3-2-4-6-11/h2-6H,1,7-9H2,(H,15,16)
InChIKeySXUWNKMWGOFEJV-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.60
Rot. Bonds4

About N-(3-benzyloxetan-3-yl)-2-fluoroprop-2-enamide

N-(3-benzyloxetan-3-yl)-2-fluoroprop-2-enamide (PubChem CID 167800308) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is N-(3-benzyloxetan-3-yl)-2-fluoroprop-2-enamide.

Molecular Properties

Compound NameN-(3-benzyloxetan-3-yl)-2-fluoroprop-2-enamide
PubChem CID167800308
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC NameN-(3-benzyloxetan-3-yl)-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)NC1(Cc2ccccc2)COC1
InChIInChI=1S/C13H14FNO2/c1-10(14)12(16)15-13(8-17-9-13)7-11-5-3-2-4-6-11/h2-6H,1,7-9H2,(H,15,16)
InChIKeySXUWNKMWGOFEJV-UHFFFAOYSA-N
XLogP1.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(bromomethyl)oxetan-3-yl]-2-phenylacetamide
CID 146427768
N-(1-benzylcyclopropyl)prop-2-enamide
CID 146108145
N-benzyl-2-(2-fluoroprop-2-enoylamino)benzamide
CID 167862348
(1-benzylcyclopentyl)urea
CID 86790395
N-(1-benzylcyclohexyl)-2-phenylacetamide
CID 84509764
2-fluoro-N'-(3-phenylmethoxypropanoyl)prop-2-enehydrazide
CID 167822930
[(2R)-2-benzyloxiran-2-yl]methanol
CID 15072879
N-(2,2-dimethyl-3-phenylpropyl)-2-fluoroprop-2-enamide
CID 167910106
methyl 3-(phenylmethoxycarbonylamino)oxetane-3-carboxylate
CID 129285191
benzyl (4S)-4-benzyl-4-methyl-2,2-dioxooxathiazolidine-3-carboxylate
CID 171749290
N-(4-benzyl-1-methylpiperidin-4-yl)acetamide;ethane
CID 142327017
2-benzyl-2-(2-benzyloxiran-2-yl)oxirane
CID 174859791

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyloxetan-3-yl)-2-fluoroprop-2-enamide?
The IUPAC name of N-(3-benzyloxetan-3-yl)-2-fluoroprop-2-enamide (CID 167800308) is N-(3-benzyloxetan-3-yl)-2-fluoroprop-2-enamide.
What is the SMILES notation for N-(3-benzyloxetan-3-yl)-2-fluoroprop-2-enamide?
The canonical SMILES for N-(3-benzyloxetan-3-yl)-2-fluoroprop-2-enamide is C=C(F)C(=O)NC1(Cc2ccccc2)COC1.
What is the InChIKey of N-(3-benzyloxetan-3-yl)-2-fluoroprop-2-enamide?
The InChIKey is SXUWNKMWGOFEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-10(14)12(16)15-13(8-17-9-13)7-11-5-3-2-4-6-11/h2-6H,1,7-9H2,(H,15,16).
What are the key properties of N-(3-benzyloxetan-3-yl)-2-fluoroprop-2-enamide?
N-(3-benzyloxetan-3-yl)-2-fluoroprop-2-enamide has a molecular weight of 235.26 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyloxetan-3-yl)-2-fluoroprop-2-enamide is sourced from PubChem (CID 167800308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).