N-(5-bromo-2-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

C15H15BrClNO — CID 103760899

IUPACN-(5-bromo-2-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESO=C(Nc1cc(Br)ccc1Cl)C1C2C3CCC(C3)C12
InChIInChI=1S/C15H15BrClNO/c16-9-3-4-10(17)11(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)
InChIKeyQEXVTIOPXJEHKV-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.33
Rot. Bonds2

About N-(5-bromo-2-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

N-(5-bromo-2-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 103760899) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID103760899
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC NameN-(5-bromo-2-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESO=C(Nc1cc(Br)ccc1Cl)C1C2C3CCC(C3)C12
InChIInChI=1S/C15H15BrClNO/c16-9-3-4-10(17)11(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)
InChIKeyQEXVTIOPXJEHKV-UHFFFAOYSA-N
XLogP4.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-2-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 113256407
(1S,2R,4R,5S)-N-(2,4-dichlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98230227
(1R,2S,4S,5R)-N-(5-chloro-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98197726
(1S,2R,4R,5S)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98252305
(1R,2S,4S,5R)-N-(3,5-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98189669
(1R,2S,4S,5R)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98136697
N-(5-bromo-2-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115606431
N-(4-hydroxy-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103820530
N-(5-bromo-2-chlorophenyl)-2-cyclobutylacetamide
CID 103707266
2-amino-N-(5-bromo-2-chlorophenyl)-2-cyclopropylpropanamide
CID 62908062
(1R,2S,4R,5S)-N-(2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 685768
N-(2-chloro-5-methyl-3-pyridinyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 102979561

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 103760899) is N-(5-bromo-2-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is O=C(Nc1cc(Br)ccc1Cl)C1C2C3CCC(C3)C12.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is QEXVTIOPXJEHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c16-9-3-4-10(17)11(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-(5-bromo-2-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
N-(5-bromo-2-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 340.65 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 103760899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).