N-(2,3,5,6-tetrafluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide

C13H11F4NO — CID 107646142

IUPACN-(2,3,5,6-tetrafluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(Nc1c(F)c(F)cc(F)c1F)C1CC2CC2C1
InChIInChI=1S/C13H11F4NO/c14-8-4-9(15)11(17)12(10(8)16)18-13(19)7-2-5-1-6(5)3-7/h4-7H,1-3H2,(H,18,19)
InChIKeyDXFDXQPVPMLRMF-UHFFFAOYSA-N
MW273.23 g/mol
LogP3.23
Rot. Bonds2

About N-(2,3,5,6-tetrafluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide

N-(2,3,5,6-tetrafluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 107646142) has the molecular formula C13H11F4NO and a molecular weight of 273.23 g/mol. Its IUPAC name is N-(2,3,5,6-tetrafluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-(2,3,5,6-tetrafluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID107646142
Molecular FormulaC13H11F4NO
Molecular Weight273.23 g/mol
Exact Mass273.08
IUPAC NameN-(2,3,5,6-tetrafluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(Nc1c(F)c(F)cc(F)c1F)C1CC2CC2C1
InChIInChI=1S/C13H11F4NO/c14-8-4-9(15)11(17)12(10(8)16)18-13(19)7-2-5-1-6(5)3-7/h4-7H,1-3H2,(H,18,19)
InChIKeyDXFDXQPVPMLRMF-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-(2,3,5,6-tetrafluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(2,3,5,6-tetrafluorophenyl)cyclohexane-1-carboxamide
CID 107641715
3-amino-N-(2,3,5,6-tetrafluorophenyl)cyclohexane-1-carboxamide
CID 107641644
N-(2,3,5,6-tetrafluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 107641674
(2R)-N-(2,3,5,6-tetrafluorophenyl)pyrrolidine-2-carboxamide
CID 107641757
N-(3-fluoro-4-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 107595584
N-(2,6-difluoro-3-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 103098002
2,2-difluoro-N-(2,3,5,6-tetrafluorophenyl)acetamide
CID 107646145
3-methyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-2-carboxamide
CID 107641806
2-(bicyclo[3.1.0]hexane-3-carbonylamino)-3-chlorobenzoic acid
CID 107046386
N-(2,3,5,6-tetrafluorophenyl)carbamothioyl chloride
CID 135378873
N-(2-carbamothioyl-4-fluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 82016441
N-(2,6-difluorophenyl)cyclopropanecarboxamide
CID 60631276

Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6-tetrafluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-(2,3,5,6-tetrafluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide (CID 107646142) is N-(2,3,5,6-tetrafluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-(2,3,5,6-tetrafluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-(2,3,5,6-tetrafluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide is O=C(Nc1c(F)c(F)cc(F)c1F)C1CC2CC2C1.
What is the InChIKey of N-(2,3,5,6-tetrafluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is DXFDXQPVPMLRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4NO/c14-8-4-9(15)11(17)12(10(8)16)18-13(19)7-2-5-1-6(5)3-7/h4-7H,1-3H2,(H,18,19).
What are the key properties of N-(2,3,5,6-tetrafluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide?
N-(2,3,5,6-tetrafluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 273.23 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6-tetrafluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 107646142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).