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

C16H14Cl2N2O — CID 63901931

IUPAC2,3-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)CNCC2)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H14Cl2N2O/c17-14-3-1-2-13(15(14)18)16(21)20-12-5-4-10-6-7-19-9-11(10)8-12/h1-5,8,19H,6-7,9H2,(H,20,21)
InChIKeyANQUQMKIHHDCAQ-UHFFFAOYSA-N
MW321.21 g/mol
LogP3.89
Rot. Bonds2

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

2,3-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide (PubChem CID 63901931) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 2,3-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
PubChem CID63901931
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name2,3-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)CNCC2)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H14Cl2N2O/c17-14-3-1-2-13(15(14)18)16(21)20-12-5-4-10-6-7-19-9-11(10)8-12/h1-5,8,19H,6-7,9H2,(H,20,21)
InChIKeyANQUQMKIHHDCAQ-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

3-chloro-2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 107098171
2-hydroxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901524
2-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide;hydrochloride
CID 75495881
2,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide;hydrochloride
CID 119581059
2-bromo-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 107983127
3,4-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901337
2,3-dichloro-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide
CID 38558640
2,5-dibromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 114374394
2,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901319
4-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 44536182
2,3-dichloro-N-phenylbenzamide
CID 7732866
2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide
CID 63900928

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide?
The IUPAC name of 2,3-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide (CID 63901931) is 2,3-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide.
What is the SMILES notation for 2,3-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide?
The canonical SMILES for 2,3-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide is O=C(Nc1ccc2c(c1)CNCC2)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide?
The InChIKey is ANQUQMKIHHDCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c17-14-3-1-2-13(15(14)18)16(21)20-12-5-4-10-6-7-19-9-11(10)8-12/h1-5,8,19H,6-7,9H2,(H,20,21).
What are the key properties of 2,3-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide?
2,3-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 2,3-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide is sourced from PubChem (CID 63901931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).