N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide

C16H16N2O — CID 70303028

IUPACN-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
SMILESO=C(Nc1cccc2c1CNCC2)c1ccccc1
InChIInChI=1S/C16H16N2O/c19-16(13-5-2-1-3-6-13)18-15-8-4-7-12-9-10-17-11-14(12)15/h1-8,17H,9-11H2,(H,18,19)
InChIKeyXLTCPYYAEMQAHG-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.58
Rot. Bonds2

About N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide

N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide (PubChem CID 70303028) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
PubChem CID70303028
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
SMILESO=C(Nc1cccc2c1CNCC2)c1ccccc1
InChIInChI=1S/C16H16N2O/c19-16(13-5-2-1-3-6-13)18-15-8-4-7-12-9-10-17-11-14(12)15/h1-8,17H,9-11H2,(H,18,19)
InChIKeyXLTCPYYAEMQAHG-UHFFFAOYSA-N
XLogP2.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 114490823
N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide
CID 114491001
N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazole-5-carboxamide
CID 114491058
4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide
CID 114491042
3-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 114491033
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazine-2-carboxamide
CID 114490944
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-3-carboxamide
CID 114490943
4-bromo-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 114490903
3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)imidazole-4-carboxamide
CID 103510823
3-bromo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80554328
5-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-1,2,4-triazole-3-carboxamide
CID 114490800
bis(2-benzamidobenzoic acid);piperazine
CID 3045073

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide?
The IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide (CID 70303028) is N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide is O=C(Nc1cccc2c1CNCC2)c1ccccc1.
What is the InChIKey of N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide?
The InChIKey is XLTCPYYAEMQAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c19-16(13-5-2-1-3-6-13)18-15-8-4-7-12-9-10-17-11-14(12)15/h1-8,17H,9-11H2,(H,18,19).
What are the key properties of N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide?
N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide has a molecular weight of 252.32 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide is sourced from PubChem (CID 70303028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).