N-(2-cyano-4-fluorophenyl)oxane-3-carboxamide

C13H13FN2O2 — CID 79953095

IUPACN-(2-cyano-4-fluorophenyl)oxane-3-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)C1CCCOC1
InChIInChI=1S/C13H13FN2O2/c14-11-3-4-12(10(6-11)7-15)16-13(17)9-2-1-5-18-8-9/h3-4,6,9H,1-2,5,8H2,(H,16,17)
InChIKeyIWHIWFIRGWQBNQ-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.06
Rot. Bonds2

About N-(2-cyano-4-fluorophenyl)oxane-3-carboxamide

N-(2-cyano-4-fluorophenyl)oxane-3-carboxamide (PubChem CID 79953095) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)oxane-3-carboxamide
PubChem CID79953095
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC NameN-(2-cyano-4-fluorophenyl)oxane-3-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)C1CCCOC1
InChIInChI=1S/C13H13FN2O2/c14-11-3-4-12(10(6-11)7-15)16-13(17)9-2-1-5-18-8-9/h3-4,6,9H,1-2,5,8H2,(H,16,17)
InChIKeyIWHIWFIRGWQBNQ-UHFFFAOYSA-N
XLogP2.06
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-4-fluorophenyl)-1,4-dioxane-2-carboxamide
CID 79954692
N-(2-bromo-5-fluorophenyl)oxane-3-carboxamide
CID 103753605
N-(2-fluoro-4-hydroxyphenyl)oxane-3-carboxamide
CID 64787080
(2S)-N-(2-cyano-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 82015903
N-(2-cyano-4-fluorophenyl)pyrrolidine-1-carboxamide
CID 78839911
N-(2-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 82016739
N-(2-cyano-4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 79947681
N-(2-cyano-6-methoxyphenyl)oxane-3-carboxamide
CID 107468166
N-(2-cyano-4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 78839934
1-[(2-cyano-4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 82017015
N-[2-[(2-cyano-4-fluorophenyl)carbamoylamino]ethyl]cyclopropanecarboxamide
CID 78894739
N-(4-amino-2-cyanophenyl)cyclohexanecarboxamide
CID 43548995

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)oxane-3-carboxamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)oxane-3-carboxamide (CID 79953095) is N-(2-cyano-4-fluorophenyl)oxane-3-carboxamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)oxane-3-carboxamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)oxane-3-carboxamide is N#Cc1cc(F)ccc1NC(=O)C1CCCOC1.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)oxane-3-carboxamide?
The InChIKey is IWHIWFIRGWQBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c14-11-3-4-12(10(6-11)7-15)16-13(17)9-2-1-5-18-8-9/h3-4,6,9H,1-2,5,8H2,(H,16,17).
What are the key properties of N-(2-cyano-4-fluorophenyl)oxane-3-carboxamide?
N-(2-cyano-4-fluorophenyl)oxane-3-carboxamide has a molecular weight of 248.26 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)oxane-3-carboxamide is sourced from PubChem (CID 79953095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).