N-(2-cyano-3-fluorophenyl)oxolane-3-carboxamide

C12H11FN2O2 — CID 61276767

IUPACN-(2-cyano-3-fluorophenyl)oxolane-3-carboxamide
SMILESN#Cc1c(F)cccc1NC(=O)C1CCOC1
InChIInChI=1S/C12H11FN2O2/c13-10-2-1-3-11(9(10)6-14)15-12(16)8-4-5-17-7-8/h1-3,8H,4-5,7H2,(H,15,16)
InChIKeyJDLCYHZZUYNCJC-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.67
Rot. Bonds2

About N-(2-cyano-3-fluorophenyl)oxolane-3-carboxamide

N-(2-cyano-3-fluorophenyl)oxolane-3-carboxamide (PubChem CID 61276767) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is N-(2-cyano-3-fluorophenyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-3-fluorophenyl)oxolane-3-carboxamide
PubChem CID61276767
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC NameN-(2-cyano-3-fluorophenyl)oxolane-3-carboxamide
SMILESN#Cc1c(F)cccc1NC(=O)C1CCOC1
InChIInChI=1S/C12H11FN2O2/c13-10-2-1-3-11(9(10)6-14)15-12(16)8-4-5-17-7-8/h1-3,8H,4-5,7H2,(H,15,16)
InChIKeyJDLCYHZZUYNCJC-UHFFFAOYSA-N
XLogP1.67
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-3-fluorophenyl)cyclopropanecarboxamide
CID 43580354
N-(2-cyano-3-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703249
N-(2-cyano-3-fluorophenyl)oxolane-2-carboxamide
CID 43580330
N-(2-cyano-3-fluorophenyl)piperidine-3-carboxamide
CID 43580743
3-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide
CID 63041812
5-[(2-cyano-3-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687786
N-(2,3-dichlorophenyl)oxolane-3-carboxamide
CID 75921085
2-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide
CID 64824294
2-fluoro-6-[1-(oxolan-3-yl)ethylamino]benzonitrile
CID 115658095
N-(2-bromo-3-chlorophenyl)oxolane-3-carboxamide
CID 103479847
N-(2-cyano-3-fluorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 71999484
2-fluoro-6-(oxan-3-ylamino)benzonitrile
CID 63611402

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-fluorophenyl)oxolane-3-carboxamide?
The IUPAC name of N-(2-cyano-3-fluorophenyl)oxolane-3-carboxamide (CID 61276767) is N-(2-cyano-3-fluorophenyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-cyano-3-fluorophenyl)oxolane-3-carboxamide?
The canonical SMILES for N-(2-cyano-3-fluorophenyl)oxolane-3-carboxamide is N#Cc1c(F)cccc1NC(=O)C1CCOC1.
What is the InChIKey of N-(2-cyano-3-fluorophenyl)oxolane-3-carboxamide?
The InChIKey is JDLCYHZZUYNCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c13-10-2-1-3-11(9(10)6-14)15-12(16)8-4-5-17-7-8/h1-3,8H,4-5,7H2,(H,15,16).
What are the key properties of N-(2-cyano-3-fluorophenyl)oxolane-3-carboxamide?
N-(2-cyano-3-fluorophenyl)oxolane-3-carboxamide has a molecular weight of 234.23 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-fluorophenyl)oxolane-3-carboxamide is sourced from PubChem (CID 61276767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).