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

C16H15BrN2O — CID 114490823

IUPAC4-bromo-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
SMILESO=C(Nc1cccc2c1CNCC2)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O/c17-13-6-4-12(5-7-13)16(20)19-15-3-1-2-11-8-9-18-10-14(11)15/h1-7,18H,8-10H2,(H,19,20)
InChIKeyFVNASMBTYUVGGG-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.35
Rot. Bonds2

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

4-bromo-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide (PubChem CID 114490823) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 4-bromo-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
PubChem CID114490823
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name4-bromo-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
SMILESO=C(Nc1cccc2c1CNCC2)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O/c17-13-6-4-12(5-7-13)16(20)19-15-3-1-2-11-8-9-18-10-14(11)15/h1-7,18H,8-10H2,(H,19,20)
InChIKeyFVNASMBTYUVGGG-UHFFFAOYSA-N
XLogP3.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 70303028
4-bromo-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 114490903
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
3-bromo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80554328
4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide
CID 114491042
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
3-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 114491033
3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)imidazole-4-carboxamide
CID 103510823
5-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-1,2,4-triazole-3-carboxamide
CID 114490800
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 103479333

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide?
The IUPAC name of 4-bromo-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide (CID 114490823) is 4-bromo-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide?
The canonical SMILES for 4-bromo-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide is O=C(Nc1cccc2c1CNCC2)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide?
The InChIKey is FVNASMBTYUVGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c17-13-6-4-12(5-7-13)16(20)19-15-3-1-2-11-8-9-18-10-14(11)15/h1-7,18H,8-10H2,(H,19,20).
What are the key properties of 4-bromo-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide?
4-bromo-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide has a molecular weight of 331.21 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide is sourced from PubChem (CID 114490823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).