N-(3-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide

C13H14FN3O2 — CID 66267430

IUPACN-(3-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C13H14FN3O2/c1-16-12-7-19-6-10(12)13(18)17-9-2-3-11(14)8(4-9)5-15/h2-4,10,12,16H,6-7H2,1H3,(H,17,18)
InChIKeyGGTKVZOPQLVDBZ-UHFFFAOYSA-N
MW263.27 g/mol
LogP0.87
Rot. Bonds3

About N-(3-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide

N-(3-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide (PubChem CID 66267430) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
PubChem CID66267430
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC NameN-(3-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C13H14FN3O2/c1-16-12-7-19-6-10(12)13(18)17-9-2-3-11(14)8(4-9)5-15/h2-4,10,12,16H,6-7H2,1H3,(H,17,18)
InChIKeyGGTKVZOPQLVDBZ-UHFFFAOYSA-N
XLogP0.87
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265960
N-(2-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 82016739
N-(3-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267926
N-(4-bromo-2-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 82708526
4-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide
CID 66267762
N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265081
N-(3-chloro-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267529
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide
CID 66267349
N-(3-cyano-4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 55057825
N-(3-carbamoyl-4-chlorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265988
N-(3-cyano-4-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79208842
N-(3-cyano-4-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103760902

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide (CID 66267430) is N-(3-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)Nc1ccc(F)c(C#N)c1.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is GGTKVZOPQLVDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-16-12-7-19-6-10(12)13(18)17-9-2-3-11(14)8(4-9)5-15/h2-4,10,12,16H,6-7H2,1H3,(H,17,18).
What are the key properties of N-(3-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide?
N-(3-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 263.27 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66267430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).