N-(5-bromo-1,2,3,4-tetrahydroisoquinolin-8-yl)formamide

C10H11BrN2O — CID 168653786

IUPACN-(5-bromo-1,2,3,4-tetrahydroisoquinolin-8-yl)formamide
SMILESO=CNc1ccc(Br)c2c1CNCC2
InChIInChI=1S/C10H11BrN2O/c11-9-1-2-10(13-6-14)8-5-12-4-3-7(8)9/h1-2,6,12H,3-5H2,(H,13,14)
InChIKeyQTGUBJBTKACGFF-UHFFFAOYSA-N
MW255.11 g/mol
LogP1.66
Rot. Bonds2

About N-(5-bromo-1,2,3,4-tetrahydroisoquinolin-8-yl)formamide

N-(5-bromo-1,2,3,4-tetrahydroisoquinolin-8-yl)formamide (PubChem CID 168653786) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is N-(5-bromo-1,2,3,4-tetrahydroisoquinolin-8-yl)formamide.

Molecular Properties

Compound NameN-(5-bromo-1,2,3,4-tetrahydroisoquinolin-8-yl)formamide
PubChem CID168653786
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC NameN-(5-bromo-1,2,3,4-tetrahydroisoquinolin-8-yl)formamide
SMILESO=CNc1ccc(Br)c2c1CNCC2
InChIInChI=1S/C10H11BrN2O/c11-9-1-2-10(13-6-14)8-5-12-4-3-7(8)9/h1-2,6,12H,3-5H2,(H,13,14)
InChIKeyQTGUBJBTKACGFF-UHFFFAOYSA-N
XLogP1.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-1H-indazol-7-yl)formamide
CID 168653221
5-bromo-N-methylbicyclo[4.2.0]octa-1,3,5-trien-2-amine
CID 175242813
N-(2-bromophenyl)formamide;hydrochloride
CID 121229289
N-(4-bromo-2-methoxy-3-methylphenyl)formamide
CID 168654128
6-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 84691693
8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane
CID 143708719
4-bromo-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-1-one;ethane
CID 154671597
methyl 4-bromo-3-formamidobenzoate
CID 122687075
(4-formamido-5,6,7,8-tetrahydronaphthalen-1-yl)-methylcarbamic acid
CID 88844243
dimethyl 1-(5-bromo-1,2,3,4-tetrahydroisoquinolin-8-yl)azepine-2,3-dicarboxylate
CID 168647875
methyl 5-bromo-1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 170899608
8-bromo-2,3,4,5-tetrahydro-1H-2-benzazepine-9-sulfonamide
CID 70567750

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,2,3,4-tetrahydroisoquinolin-8-yl)formamide?
The IUPAC name of N-(5-bromo-1,2,3,4-tetrahydroisoquinolin-8-yl)formamide (CID 168653786) is N-(5-bromo-1,2,3,4-tetrahydroisoquinolin-8-yl)formamide.
What is the SMILES notation for N-(5-bromo-1,2,3,4-tetrahydroisoquinolin-8-yl)formamide?
The canonical SMILES for N-(5-bromo-1,2,3,4-tetrahydroisoquinolin-8-yl)formamide is O=CNc1ccc(Br)c2c1CNCC2.
What is the InChIKey of N-(5-bromo-1,2,3,4-tetrahydroisoquinolin-8-yl)formamide?
The InChIKey is QTGUBJBTKACGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c11-9-1-2-10(13-6-14)8-5-12-4-3-7(8)9/h1-2,6,12H,3-5H2,(H,13,14).
What are the key properties of N-(5-bromo-1,2,3,4-tetrahydroisoquinolin-8-yl)formamide?
N-(5-bromo-1,2,3,4-tetrahydroisoquinolin-8-yl)formamide has a molecular weight of 255.11 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,2,3,4-tetrahydroisoquinolin-8-yl)formamide is sourced from PubChem (CID 168653786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).