2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide

C16H14Cl2N2O — CID 80547895

IUPAC2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
SMILESO=C(Nc1cccc2c1CCNC2)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H14Cl2N2O/c17-12-4-2-5-13(18)15(12)16(21)20-14-6-1-3-10-9-19-8-7-11(10)14/h1-6,19H,7-9H2,(H,20,21)
InChIKeyXBLMSXPBPUZBIK-UHFFFAOYSA-N
MW321.21 g/mol
LogP3.89
Rot. Bonds2

About 2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide

2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide (PubChem CID 80547895) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
PubChem CID80547895
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
SMILESO=C(Nc1cccc2c1CCNC2)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H14Cl2N2O/c17-12-4-2-5-13(18)15(12)16(21)20-14-6-1-3-10-9-19-8-7-11(10)14/h1-6,19H,7-9H2,(H,20,21)
InChIKeyXBLMSXPBPUZBIK-UHFFFAOYSA-N
XLogP3.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-2-carboxamide
CID 80554310
5-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80547994
4-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80548205
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-3-carboxamide
CID 80554577
3-bromo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80554328
2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridine-4-carboxamide
CID 103806791
1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrazole-3-carboxamide
CID 103117436
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)furan-3-carboxamide
CID 80554325
2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 43808436
2,4-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 43808455
3-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 114491033
4-chloro-1-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrole-2-carboxamide
CID 80548058

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide?
The IUPAC name of 2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide (CID 80547895) is 2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide?
The canonical SMILES for 2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide is O=C(Nc1cccc2c1CCNC2)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide?
The InChIKey is XBLMSXPBPUZBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c17-12-4-2-5-13(18)15(12)16(21)20-14-6-1-3-10-9-19-8-7-11(10)14/h1-6,19H,7-9H2,(H,20,21).
What are the key properties of 2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide?
2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide has a molecular weight of 321.21 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide is sourced from PubChem (CID 80547895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).