N-(3-cyano-2-fluorophenyl)-3-oxocyclobutane-1-carboxamide

C12H9FN2O2 — CID 154871427

IUPACN-(3-cyano-2-fluorophenyl)-3-oxocyclobutane-1-carboxamide
SMILESN#Cc1cccc(NC(=O)C2CC(=O)C2)c1F
InChIInChI=1S/C12H9FN2O2/c13-11-7(6-14)2-1-3-10(11)15-12(17)8-4-9(16)5-8/h1-3,8H,4-5H2,(H,15,17)
InChIKeyPVXCFEJCGNUKIA-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.61
Rot. Bonds2

About N-(3-cyano-2-fluorophenyl)-3-oxocyclobutane-1-carboxamide

N-(3-cyano-2-fluorophenyl)-3-oxocyclobutane-1-carboxamide (PubChem CID 154871427) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is N-(3-cyano-2-fluorophenyl)-3-oxocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-2-fluorophenyl)-3-oxocyclobutane-1-carboxamide
PubChem CID154871427
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC NameN-(3-cyano-2-fluorophenyl)-3-oxocyclobutane-1-carboxamide
SMILESN#Cc1cccc(NC(=O)C2CC(=O)C2)c1F
InChIInChI=1S/C12H9FN2O2/c13-11-7(6-14)2-1-3-10(11)15-12(17)8-4-9(16)5-8/h1-3,8H,4-5H2,(H,15,17)
InChIKeyPVXCFEJCGNUKIA-UHFFFAOYSA-N
XLogP1.61
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106737104
N-(2-cyano-3-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703249
4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151123
N-(2-cyano-3-fluorophenyl)cyclopropanecarboxamide
CID 43580354
N-(2-ethylphenyl)-3-oxocyclobutane-1-carboxamide
CID 75395648
4-N-(2-chlorophenyl)-1-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109150947
N-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide
CID 79005674
4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150350
N-(2-cyanophenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223693
(3S)-N-(2-cyanophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 9374311
4-N-(2-cyanophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148403
N-(2-cyanophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 60675908

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-2-fluorophenyl)-3-oxocyclobutane-1-carboxamide?
The IUPAC name of N-(3-cyano-2-fluorophenyl)-3-oxocyclobutane-1-carboxamide (CID 154871427) is N-(3-cyano-2-fluorophenyl)-3-oxocyclobutane-1-carboxamide.
What is the SMILES notation for N-(3-cyano-2-fluorophenyl)-3-oxocyclobutane-1-carboxamide?
The canonical SMILES for N-(3-cyano-2-fluorophenyl)-3-oxocyclobutane-1-carboxamide is N#Cc1cccc(NC(=O)C2CC(=O)C2)c1F.
What is the InChIKey of N-(3-cyano-2-fluorophenyl)-3-oxocyclobutane-1-carboxamide?
The InChIKey is PVXCFEJCGNUKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c13-11-7(6-14)2-1-3-10(11)15-12(17)8-4-9(16)5-8/h1-3,8H,4-5H2,(H,15,17).
What are the key properties of N-(3-cyano-2-fluorophenyl)-3-oxocyclobutane-1-carboxamide?
N-(3-cyano-2-fluorophenyl)-3-oxocyclobutane-1-carboxamide has a molecular weight of 232.21 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-2-fluorophenyl)-3-oxocyclobutane-1-carboxamide is sourced from PubChem (CID 154871427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).