2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)ethanone

C17H15Cl2NO — CID 116612566

IUPAC2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)ethanone
SMILESO=C(Cc1cc(Cl)ccc1Cl)c1cccc2c1CCNC2
InChIInChI=1S/C17H15Cl2NO/c18-13-4-5-16(19)12(8-13)9-17(21)15-3-1-2-11-10-20-7-6-14(11)15/h1-5,8,20H,6-7,9-10H2
InChIKeyVVPIBXLIXBDNOM-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.06
Rot. Bonds3

About 2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)ethanone

2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)ethanone (PubChem CID 116612566) has the molecular formula C17H15Cl2NO and a molecular weight of 320.22 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)ethanone
PubChem CID116612566
Molecular FormulaC17H15Cl2NO
Molecular Weight320.22 g/mol
Exact Mass319.05
IUPAC Name2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)ethanone
SMILESO=C(Cc1cc(Cl)ccc1Cl)c1cccc2c1CCNC2
InChIInChI=1S/C17H15Cl2NO/c18-13-4-5-16(19)12(8-13)9-17(21)15-3-1-2-11-10-20-7-6-14(11)15/h1-5,8,20H,6-7,9-10H2
InChIKeyVVPIBXLIXBDNOM-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)ethanone
CID 103052474
2-(3-bromo-4-fluorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)ethanone
CID 116612533
2-(4-bromophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)ethanone
CID 116612555
N-(5-chloro-2-fluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558024
N-(4-chloro-3-fluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558127
1-(1,2,3,4-tetrahydroisoquinolin-5-yl)pentan-1-one
CID 116612471
2-(1-methylpyrazol-4-yl)-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)ethanone
CID 116612581
2-propoxy-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)ethanone
CID 116612571
4-phenyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)butan-1-one
CID 116612476
2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 103052466
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)ethanone?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)ethanone (CID 116612566) is 2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)ethanone.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)ethanone?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)ethanone is O=C(Cc1cc(Cl)ccc1Cl)c1cccc2c1CCNC2.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)ethanone?
The InChIKey is VVPIBXLIXBDNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO/c18-13-4-5-16(19)12(8-13)9-17(21)15-3-1-2-11-10-20-7-6-14(11)15/h1-5,8,20H,6-7,9-10H2.
What are the key properties of 2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)ethanone?
2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)ethanone has a molecular weight of 320.22 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)ethanone is sourced from PubChem (CID 116612566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).