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

C14H15BrFNO — CID 103753355

IUPACN-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1cc(F)ccc1Br)C1CC2CCC1C2
InChIInChI=1S/C14H15BrFNO/c15-12-4-3-10(16)7-13(12)17-14(18)11-6-8-1-2-9(11)5-8/h3-4,7-9,11H,1-2,5-6H2,(H,17,18)
InChIKeyWWXRGMDNOAEOQW-UHFFFAOYSA-N
MW312.18 g/mol
LogP3.96
Rot. Bonds2

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

N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 103753355) has the molecular formula C14H15BrFNO and a molecular weight of 312.18 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID103753355
Molecular FormulaC14H15BrFNO
Molecular Weight312.18 g/mol
Exact Mass311.03
IUPAC NameN-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1cc(F)ccc1Br)C1CC2CCC1C2
InChIInChI=1S/C14H15BrFNO/c15-12-4-3-10(16)7-13(12)17-14(18)11-6-8-1-2-9(11)5-8/h3-4,7-9,11H,1-2,5-6H2,(H,17,18)
InChIKeyWWXRGMDNOAEOQW-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.18
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(bicyclo[2.2.1]heptane-2-carbonylamino)-4-bromobenzoic acid
CID 107812376
(1R,2R,4R)-N-(2-bromophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 6952490
N-(4-fluoro-2-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 47024485
N-(2-cyano-4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 79947681
(1S,2R,4S)-N-(5-bromo-2-iodophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98753327
N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 113255457
3-amino-N-(2-bromo-5-fluorophenyl)cyclopentane-1-carboxamide
CID 103808505
N-(2-bromo-5-fluorophenyl)oxane-3-carboxamide
CID 103753605
N-(2-chlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 4069270
(1R,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11878067
N-(2,3,4,5,6-pentafluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 3670052
(2R)-N-(2-bromo-5-fluorophenyl)pyrrolidine-2-carboxamide
CID 103794703

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 103753355) is N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide is O=C(Nc1cc(F)ccc1Br)C1CC2CCC1C2.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is WWXRGMDNOAEOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO/c15-12-4-3-10(16)7-13(12)17-14(18)11-6-8-1-2-9(11)5-8/h3-4,7-9,11H,1-2,5-6H2,(H,17,18).
What are the key properties of N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 312.18 g/mol, XLogP of 3.96, 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]heptane-2-carboxamide is sourced from PubChem (CID 103753355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).