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

C12H11FN2O2 — CID 43580330

IUPACN-(2-cyano-3-fluorophenyl)oxolane-2-carboxamide
SMILESN#Cc1c(F)cccc1NC(=O)C1CCCO1
InChIInChI=1S/C12H11FN2O2/c13-9-3-1-4-10(8(9)7-14)15-12(16)11-5-2-6-17-11/h1,3-4,11H,2,5-6H2,(H,15,16)
InChIKeyQZWXNPXKBLVRFN-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.81
Rot. Bonds2

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

N-(2-cyano-3-fluorophenyl)oxolane-2-carboxamide (PubChem CID 43580330) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is N-(2-cyano-3-fluorophenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-3-fluorophenyl)oxolane-2-carboxamide
PubChem CID43580330
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC NameN-(2-cyano-3-fluorophenyl)oxolane-2-carboxamide
SMILESN#Cc1c(F)cccc1NC(=O)C1CCCO1
InChIInChI=1S/C12H11FN2O2/c13-9-3-1-4-10(8(9)7-14)15-12(16)11-5-2-6-17-11/h1,3-4,11H,2,5-6H2,(H,15,16)
InChIKeyQZWXNPXKBLVRFN-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)oxolane-2-carboxamide
CID 2948515
N-(2-cyano-3-fluorophenyl)cyclopropanecarboxamide
CID 43580354
2-fluoro-6-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 113462407
N-(2-cyano-3-fluorophenyl)oxolane-3-carboxamide
CID 61276767
2-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide
CID 64824294
(2R)-N-(4-chloro-2-cyanophenyl)oxolane-2-carboxamide
CID 126837214
N-(2-cyano-3-fluorophenyl)piperidine-3-carboxamide
CID 43580743
3-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide
CID 63041812
N-(2-cyano-3-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703249
(2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 58409794
N-(2,3-dichlorophenyl)oxolane-2-carboxamide
CID 3155144
N-(3-hydroxy-2-methylphenyl)oxolane-2-carboxamide
CID 64793799

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-fluorophenyl)oxolane-2-carboxamide?
The IUPAC name of N-(2-cyano-3-fluorophenyl)oxolane-2-carboxamide (CID 43580330) is N-(2-cyano-3-fluorophenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(2-cyano-3-fluorophenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(2-cyano-3-fluorophenyl)oxolane-2-carboxamide is N#Cc1c(F)cccc1NC(=O)C1CCCO1.
What is the InChIKey of N-(2-cyano-3-fluorophenyl)oxolane-2-carboxamide?
The InChIKey is QZWXNPXKBLVRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c13-9-3-1-4-10(8(9)7-14)15-12(16)11-5-2-6-17-11/h1,3-4,11H,2,5-6H2,(H,15,16).
What are the key properties of N-(2-cyano-3-fluorophenyl)oxolane-2-carboxamide?
N-(2-cyano-3-fluorophenyl)oxolane-2-carboxamide has a molecular weight of 234.23 g/mol, XLogP of 1.81, 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-2-carboxamide is sourced from PubChem (CID 43580330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).