3-cyano-N-[(2-fluorophenyl)methyl]-N-methyloxetane-3-carboxamide

C13H13FN2O2 — CID 115184778

IUPAC3-cyano-N-[(2-fluorophenyl)methyl]-N-methyloxetane-3-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)C1(C#N)COC1
InChIInChI=1S/C13H13FN2O2/c1-16(6-10-4-2-3-5-11(10)14)12(17)13(7-15)8-18-9-13/h2-5H,6,8-9H2,1H3
InChIKeyXKBPPNQHQCEHAJ-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.32
Rot. Bonds3

About 3-cyano-N-[(2-fluorophenyl)methyl]-N-methyloxetane-3-carboxamide

3-cyano-N-[(2-fluorophenyl)methyl]-N-methyloxetane-3-carboxamide (PubChem CID 115184778) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 3-cyano-N-[(2-fluorophenyl)methyl]-N-methyloxetane-3-carboxamide.

Molecular Properties

Compound Name3-cyano-N-[(2-fluorophenyl)methyl]-N-methyloxetane-3-carboxamide
PubChem CID115184778
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name3-cyano-N-[(2-fluorophenyl)methyl]-N-methyloxetane-3-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)C1(C#N)COC1
InChIInChI=1S/C13H13FN2O2/c1-16(6-10-4-2-3-5-11(10)14)12(17)13(7-15)8-18-9-13/h2-5H,6,8-9H2,1H3
InChIKeyXKBPPNQHQCEHAJ-UHFFFAOYSA-N
XLogP1.32
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(2-fluorophenyl)-N-methyloxetane-3-carboxamide
CID 115184666
1-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115181749
N-[(2-fluorophenyl)methyl]-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115183079
N-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
CID 115184122
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378
1-carbamothioyl-N-[(2-fluorophenyl)methyl]-N,3-dimethylcyclobutane-1-carboxamide
CID 80589205
1-carbamothioyl-N-[(2-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 80589290
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
3,5-difluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78769060
1-(3-fluorophenyl)-N-[(2-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 55329322
N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65241957

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(2-fluorophenyl)methyl]-N-methyloxetane-3-carboxamide?
The IUPAC name of 3-cyano-N-[(2-fluorophenyl)methyl]-N-methyloxetane-3-carboxamide (CID 115184778) is 3-cyano-N-[(2-fluorophenyl)methyl]-N-methyloxetane-3-carboxamide.
What is the SMILES notation for 3-cyano-N-[(2-fluorophenyl)methyl]-N-methyloxetane-3-carboxamide?
The canonical SMILES for 3-cyano-N-[(2-fluorophenyl)methyl]-N-methyloxetane-3-carboxamide is CN(Cc1ccccc1F)C(=O)C1(C#N)COC1.
What is the InChIKey of 3-cyano-N-[(2-fluorophenyl)methyl]-N-methyloxetane-3-carboxamide?
The InChIKey is XKBPPNQHQCEHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-16(6-10-4-2-3-5-11(10)14)12(17)13(7-15)8-18-9-13/h2-5H,6,8-9H2,1H3.
What are the key properties of 3-cyano-N-[(2-fluorophenyl)methyl]-N-methyloxetane-3-carboxamide?
3-cyano-N-[(2-fluorophenyl)methyl]-N-methyloxetane-3-carboxamide has a molecular weight of 248.26 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(2-fluorophenyl)methyl]-N-methyloxetane-3-carboxamide is sourced from PubChem (CID 115184778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).