[(1R)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2,5-difluorophenyl)methanone

C22H16ClF2NO — CID 92769029

IUPAC[(1R)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)ccc1F)N1CCc2ccccc2[C@@H]1c1ccccc1Cl
InChIInChI=1S/C22H16ClF2NO/c23-19-8-4-3-7-17(19)21-16-6-2-1-5-14(16)11-12-26(21)22(27)18-13-15(24)9-10-20(18)25/h1-10,13,21H,11-12H2/t21-/m1/s1
InChIKeyGRZQSESVPYZWDB-OAQYLSRUSA-N
MW383.83 g/mol
LogP5.41
Rot. Bonds2

About [(1R)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2,5-difluorophenyl)methanone

[(1R)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2,5-difluorophenyl)methanone (PubChem CID 92769029) has the molecular formula C22H16ClF2NO and a molecular weight of 383.83 g/mol. Its IUPAC name is [(1R)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2,5-difluorophenyl)methanone.

Molecular Properties

Compound Name[(1R)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2,5-difluorophenyl)methanone
PubChem CID92769029
Molecular FormulaC22H16ClF2NO
Molecular Weight383.83 g/mol
Exact Mass383.09
IUPAC Name[(1R)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)ccc1F)N1CCc2ccccc2[C@@H]1c1ccccc1Cl
InChIInChI=1S/C22H16ClF2NO/c23-19-8-4-3-7-17(19)21-16-6-2-1-5-14(16)11-12-26(21)22(27)18-13-15(24)9-10-20(18)25/h1-10,13,21H,11-12H2/t21-/m1/s1
InChIKeyGRZQSESVPYZWDB-OAQYLSRUSA-N
XLogP5.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.83
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,5-difluorophenyl)-[(1S)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 92768096
(1R)-1-(2-chlorophenyl)-N-(2,5-difluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 92769135
[(1S)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2,6-difluorophenyl)methanone
CID 92769149
[(1R)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2,6-difluorophenyl)methanone
CID 92769148
[(1S)-1-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(2,4-difluorophenyl)methanone
CID 92772488
(3-chlorophenyl)-[1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 46095487
[1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2-fluorophenyl)methanone
CID 46095577
(1R)-1-(2-chlorophenyl)-N-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 92768228
(4-chlorophenyl)-[1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 46095397
[(1S)-1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(2,5-difluorophenyl)methanone
CID 92773226
[(1S)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(4-methylphenyl)methanone
CID 92767919
[1-(2,4-difluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-pyrrolidin-1-ylmethanone
CID 155741879

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2,5-difluorophenyl)methanone?
The IUPAC name of [(1R)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2,5-difluorophenyl)methanone (CID 92769029) is [(1R)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2,5-difluorophenyl)methanone.
What is the SMILES notation for [(1R)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2,5-difluorophenyl)methanone?
The canonical SMILES for [(1R)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2,5-difluorophenyl)methanone is O=C(c1cc(F)ccc1F)N1CCc2ccccc2[C@@H]1c1ccccc1Cl.
What is the InChIKey of [(1R)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2,5-difluorophenyl)methanone?
The InChIKey is GRZQSESVPYZWDB-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H16ClF2NO/c23-19-8-4-3-7-17(19)21-16-6-2-1-5-14(16)11-12-26(21)22(27)18-13-15(24)9-10-20(18)25/h1-10,13,21H,11-12H2/t21-/m1/s1.
What are the key properties of [(1R)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2,5-difluorophenyl)methanone?
[(1R)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2,5-difluorophenyl)methanone has a molecular weight of 383.83 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2,5-difluorophenyl)methanone is sourced from PubChem (CID 92769029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).