N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C14H13BrFNO — CID 113255457

IUPACN-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(Nc1cc(F)ccc1Br)C1CC2C=CC1C2
InChIInChI=1S/C14H13BrFNO/c15-12-4-3-10(16)7-13(12)17-14(18)11-6-8-1-2-9(11)5-8/h1-4,7-9,11H,5-6H2,(H,17,18)
InChIKeyFHTZTUINQOGRSC-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.74
Rot. Bonds2

About N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 113255457) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID113255457
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC NameN-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(Nc1cc(F)ccc1Br)C1CC2C=CC1C2
InChIInChI=1S/C14H13BrFNO/c15-12-4-3-10(16)7-13(12)17-14(18)11-6-8-1-2-9(11)5-8/h1-4,7-9,11H,5-6H2,(H,17,18)
InChIKeyFHTZTUINQOGRSC-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-dimethylphosphoryl-4-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 166380076
N-(5-amino-2-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 43600111
N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103753355
N-(6-bromo-3-pyridinyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 103809869
N-(2,5-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42905929
(1R,2S,4S)-N-(2-chlorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 124568561
(2R)-N-(2-bromo-5-fluorophenyl)pyrrolidine-2-carboxamide
CID 103794703
N-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 103754877
3-amino-N-(2-bromo-5-fluorophenyl)cyclopentane-1-carboxamide
CID 103808505
N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703873
2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)benzoic acid
CID 24701586
N-(2,3-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42906227

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 113255457) is N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is O=C(Nc1cc(F)ccc1Br)C1CC2C=CC1C2.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is FHTZTUINQOGRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c15-12-4-3-10(16)7-13(12)17-14(18)11-6-8-1-2-9(11)5-8/h1-4,7-9,11H,5-6H2,(H,17,18).
What are the key properties of N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 310.17 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 113255457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).