N-(4-bromo-2,6-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

C17H20BrNO — CID 103760710

IUPACN-(4-bromo-2,6-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCc1cc(Br)cc(C)c1NC(=O)C1C2C3CCC(C3)C12
InChIInChI=1S/C17H20BrNO/c1-8-5-12(18)6-9(2)16(8)19-17(20)15-13-10-3-4-11(7-10)14(13)15/h5-6,10-11,13-15H,3-4,7H2,1-2H3,(H,19,20)
InChIKeyJDQARLPFPLASLA-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.30
Rot. Bonds2

About N-(4-bromo-2,6-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

N-(4-bromo-2,6-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 103760710) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID103760710
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCc1cc(Br)cc(C)c1NC(=O)C1C2C3CCC(C3)C12
InChIInChI=1S/C17H20BrNO/c1-8-5-12(18)6-9(2)16(8)19-17(20)15-13-10-3-4-11(7-10)14(13)15/h5-6,10-11,13-15H,3-4,7H2,1-2H3,(H,19,20)
InChIKeyJDQARLPFPLASLA-UHFFFAOYSA-N
XLogP4.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2S,4S,5R)-N-(3,5-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98189669
N-(4-hydroxy-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103820530
(1R,2S,4R,5S)-N-(2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 685768
N-(5-bromo-2-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103760899
(1R,2S,4R,5R)-N-(4-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98126766
(1R,2S,4S,5R)-N-(5-chloro-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98197726
N-(4-bromo-2-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 113256407
N-(4-bromo-2,6-dimethylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 25249643
N-(4-bromo-2,6-dimethylphenyl)thiolane-2-carboxamide
CID 65499513
(1R,2S,4S,5R)-N-(2-bromophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98187162
6-[(4-bromo-2,6-dimethylphenyl)carbamoyl]-5-methylcyclohex-3-ene-1-carboxylic acid
CID 23795811
(3S)-N-(4-bromo-2,6-dimethylphenyl)piperidine-3-carboxamide
CID 28562759

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 103760710) is N-(4-bromo-2,6-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is Cc1cc(Br)cc(C)c1NC(=O)C1C2C3CCC(C3)C12.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is JDQARLPFPLASLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-8-5-12(18)6-9(2)16(8)19-17(20)15-13-10-3-4-11(7-10)14(13)15/h5-6,10-11,13-15H,3-4,7H2,1-2H3,(H,19,20).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
N-(4-bromo-2,6-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 334.26 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 103760710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).