N-(4-bromo-2-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

C15H15BrFNO — CID 113256407

IUPACN-(4-bromo-2-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)C1C2C3CCC(C3)C12
InChIInChI=1S/C15H15BrFNO/c16-9-3-4-11(10(17)6-9)18-15(19)14-12-7-1-2-8(5-7)13(12)14/h3-4,6-8,12-14H,1-2,5H2,(H,18,19)
InChIKeyVLSMPKZPBQPEQI-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.82
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

N-(4-bromo-2-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 113256407) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID113256407
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC NameN-(4-bromo-2-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)C1C2C3CCC(C3)C12
InChIInChI=1S/C15H15BrFNO/c16-9-3-4-11(10(17)6-9)18-15(19)14-12-7-1-2-8(5-7)13(12)14/h3-4,6-8,12-14H,1-2,5H2,(H,18,19)
InChIKeyVLSMPKZPBQPEQI-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R,3R,4S)-3-[(4-bromo-2-fluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 50898191
N-(5-bromo-2-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103760899
N-(4-bromo-2-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79139023
(1R,2S,3R,4S)-3-[(4-bromo-2-fluorophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 11880219
3-[(4-bromo-2-fluorophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 2885929
(1S,2R,4R,5S)-N-(2,4-dichlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98230227
(1R,2S,4S,5R)-N-(2-bromophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98187162
(1S,2R,3R,4S)-3-[(4-chloro-2-fluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124723119
N-(4-hydroxy-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103820530
N-(4-bromo-2-fluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119673458
(3R)-N-(4-bromo-2-fluorophenyl)-1,1-dioxothiolane-3-carboxamide
CID 51534988
N-(4-bromo-2,6-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103760710

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 113256407) is N-(4-bromo-2-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is O=C(Nc1ccc(Br)cc1F)C1C2C3CCC(C3)C12.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is VLSMPKZPBQPEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c16-9-3-4-11(10(17)6-9)18-15(19)14-12-7-1-2-8(5-7)13(12)14/h3-4,6-8,12-14H,1-2,5H2,(H,18,19).
What are the key properties of N-(4-bromo-2-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
N-(4-bromo-2-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 324.19 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 113256407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).