3,4-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide

C16H14Cl2N2O — CID 63901337

IUPAC3,4-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)CNCC2)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2N2O/c17-14-4-2-11(8-15(14)18)16(21)20-13-3-1-10-5-6-19-9-12(10)7-13/h1-4,7-8,19H,5-6,9H2,(H,20,21)
InChIKeyCUJHUJYYOSLFFI-UHFFFAOYSA-N
MW321.21 g/mol
LogP3.89
Rot. Bonds2

About 3,4-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide

3,4-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide (PubChem CID 63901337) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 3,4-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
PubChem CID63901337
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name3,4-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)CNCC2)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2N2O/c17-14-4-2-11(8-15(14)18)16(21)20-13-3-1-10-5-6-19-9-12(10)7-13/h1-4,7-8,19H,5-6,9H2,(H,20,21)
InChIKeyCUJHUJYYOSLFFI-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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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide?
The IUPAC name of 3,4-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide (CID 63901337) is 3,4-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide is O=C(Nc1ccc2c(c1)CNCC2)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide?
The InChIKey is CUJHUJYYOSLFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c17-14-4-2-11(8-15(14)18)16(21)20-13-3-1-10-5-6-19-9-12(10)7-13/h1-4,7-8,19H,5-6,9H2,(H,20,21).
What are the key properties of 3,4-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide?
3,4-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-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 3,4-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide is sourced from PubChem (CID 63901337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).