N-(2,3,4,5,6-pentafluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide

C14H12F5NO — CID 3670052

IUPACN-(2,3,4,5,6-pentafluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1c(F)c(F)c(F)c(F)c1F)C1CC2CCC1C2
InChIInChI=1S/C14H12F5NO/c15-8-9(16)11(18)13(12(19)10(8)17)20-14(21)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H,20,21)
InChIKeyWLONARPOOHGIJA-UHFFFAOYSA-N
MW305.25 g/mol
LogP3.76
Rot. Bonds2

About N-(2,3,4,5,6-pentafluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(2,3,4,5,6-pentafluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 3670052) has the molecular formula C14H12F5NO and a molecular weight of 305.25 g/mol. Its IUPAC name is N-(2,3,4,5,6-pentafluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(2,3,4,5,6-pentafluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID3670052
Molecular FormulaC14H12F5NO
Molecular Weight305.25 g/mol
Exact Mass305.08
IUPAC NameN-(2,3,4,5,6-pentafluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1c(F)c(F)c(F)c(F)c1F)C1CC2CCC1C2
InChIInChI=1S/C14H12F5NO/c15-8-9(16)11(18)13(12(19)10(8)17)20-14(21)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H,20,21)
InChIKeyWLONARPOOHGIJA-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 3111211
(1S,2S,4R)-N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98142401
(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbohydrazide
CID 6993760
N-(3-fluoro-4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 167232925
N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103753355
N-[4-(trifluoromethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 47124816
(1R,2S)-N-(4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100939209
(1R,2S,4S)-N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11905183
(1S,2S,4S)-N-cyclopropylbicyclo[2.2.1]heptane-2-carboxamide
CID 7302454
(1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98123961
(1S,2S,4S)-N-[2-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124716151
N-(4-fluoro-2-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 47024485

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5,6-pentafluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(2,3,4,5,6-pentafluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 3670052) is N-(2,3,4,5,6-pentafluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(2,3,4,5,6-pentafluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(2,3,4,5,6-pentafluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide is O=C(Nc1c(F)c(F)c(F)c(F)c1F)C1CC2CCC1C2.
What is the InChIKey of N-(2,3,4,5,6-pentafluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is WLONARPOOHGIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F5NO/c15-8-9(16)11(18)13(12(19)10(8)17)20-14(21)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H,20,21).
What are the key properties of N-(2,3,4,5,6-pentafluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(2,3,4,5,6-pentafluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 305.25 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5,6-pentafluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 3670052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).