N-(2,6-dibromophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C16H14Br2N2O — CID 107599706

IUPACN-(2,6-dibromophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(Nc1c(Br)cccc1Br)C1Cc2ccccc2CN1
InChIInChI=1S/C16H14Br2N2O/c17-12-6-3-7-13(18)15(12)20-16(21)14-8-10-4-1-2-5-11(10)9-19-14/h1-7,14,19H,8-9H2,(H,20,21)
InChIKeyZTPYWRLAITUQMN-UHFFFAOYSA-N
MW410.11 g/mol
LogP3.86
Rot. Bonds2

About N-(2,6-dibromophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

N-(2,6-dibromophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 107599706) has the molecular formula C16H14Br2N2O and a molecular weight of 410.11 g/mol. Its IUPAC name is N-(2,6-dibromophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dibromophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID107599706
Molecular FormulaC16H14Br2N2O
Molecular Weight410.11 g/mol
Exact Mass407.95
IUPAC NameN-(2,6-dibromophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(Nc1c(Br)cccc1Br)C1Cc2ccccc2CN1
InChIInChI=1S/C16H14Br2N2O/c17-12-6-3-7-13(18)15(12)20-16(21)14-8-10-4-1-2-5-11(10)9-19-14/h1-7,14,19H,8-9H2,(H,20,21)
InChIKeyZTPYWRLAITUQMN-UHFFFAOYSA-N
XLogP3.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.11
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 81497243
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103479491
(3S)-N-(2,4-dibromophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896196
N-(2-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24690302
N-(3-iodophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43124629
(3S)-N-(4-bromo-2-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896096
N-(2-hydroxy-3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 79590378
2-(2-bromophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
CID 116549733
N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24692281
N-(1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43185858
3-hydroxy-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)butanoic acid
CID 61157694
(3S)-N-methylsulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103287323

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-(2,6-dibromophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 107599706) is N-(2,6-dibromophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-(2,6-dibromophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-(2,6-dibromophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is O=C(Nc1c(Br)cccc1Br)C1Cc2ccccc2CN1.
What is the InChIKey of N-(2,6-dibromophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is ZTPYWRLAITUQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2N2O/c17-12-6-3-7-13(18)15(12)20-16(21)14-8-10-4-1-2-5-11(10)9-19-14/h1-7,14,19H,8-9H2,(H,20,21).
What are the key properties of N-(2,6-dibromophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-(2,6-dibromophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 410.11 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 107599706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).