4-fluoro-N-(1-oxo-5-phenyl-3,4-dihydro-2H-isoquinolin-8-yl)benzamide

C22H17FN2O2 — CID 122639159

IUPAC4-fluoro-N-(1-oxo-5-phenyl-3,4-dihydro-2H-isoquinolin-8-yl)benzamide
SMILESO=C(Nc1ccc(-c2ccccc2)c2c1C(=O)NCC2)c1ccc(F)cc1
InChIInChI=1S/C22H17FN2O2/c23-16-8-6-15(7-9-16)21(26)25-19-11-10-17(14-4-2-1-3-5-14)18-12-13-24-22(27)20(18)19/h1-11H,12-13H2,(H,24,27)(H,25,26)
InChIKeyVLWUYKIHMWXMBG-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.03
Rot. Bonds3

About 4-fluoro-N-(1-oxo-5-phenyl-3,4-dihydro-2H-isoquinolin-8-yl)benzamide

4-fluoro-N-(1-oxo-5-phenyl-3,4-dihydro-2H-isoquinolin-8-yl)benzamide (PubChem CID 122639159) has the molecular formula C22H17FN2O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is 4-fluoro-N-(1-oxo-5-phenyl-3,4-dihydro-2H-isoquinolin-8-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(1-oxo-5-phenyl-3,4-dihydro-2H-isoquinolin-8-yl)benzamide
PubChem CID122639159
Molecular FormulaC22H17FN2O2
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC Name4-fluoro-N-(1-oxo-5-phenyl-3,4-dihydro-2H-isoquinolin-8-yl)benzamide
SMILESO=C(Nc1ccc(-c2ccccc2)c2c1C(=O)NCC2)c1ccc(F)cc1
InChIInChI=1S/C22H17FN2O2/c23-16-8-6-15(7-9-16)21(26)25-19-11-10-17(14-4-2-1-3-5-14)18-12-13-24-22(27)20(18)19/h1-11H,12-13H2,(H,24,27)(H,25,26)
InChIKeyVLWUYKIHMWXMBG-UHFFFAOYSA-N
XLogP4.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamic acid
CID 122639210
N-[3-oxo-7-[4-(trifluoromethyl)phenyl]-1,2-dihydroisoindol-4-yl]benzamide
CID 122639255
N-[7-(3,4-difluorophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
CID 122639240
N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 122639077
N-(3-oxo-7-pyridin-3-yl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639225
4-fluoro-N-(7-hydroxy-3-oxo-1,2-dihydroisoindol-4-yl)benzamide
CID 122639404
N-[7-(3-cyanophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
CID 122639188
3,4-dimethoxy-N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639366
4-fluoro-N-(3-oxo-7-quinolin-6-yl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639250
phenyl N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamate
CID 140749368
N-(1,3-dioxo-7-phenylinden-4-yl)benzamide
CID 161402375
N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-fluorobenzamide
CID 122639167

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1-oxo-5-phenyl-3,4-dihydro-2H-isoquinolin-8-yl)benzamide?
The IUPAC name of 4-fluoro-N-(1-oxo-5-phenyl-3,4-dihydro-2H-isoquinolin-8-yl)benzamide (CID 122639159) is 4-fluoro-N-(1-oxo-5-phenyl-3,4-dihydro-2H-isoquinolin-8-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(1-oxo-5-phenyl-3,4-dihydro-2H-isoquinolin-8-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(1-oxo-5-phenyl-3,4-dihydro-2H-isoquinolin-8-yl)benzamide is O=C(Nc1ccc(-c2ccccc2)c2c1C(=O)NCC2)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(1-oxo-5-phenyl-3,4-dihydro-2H-isoquinolin-8-yl)benzamide?
The InChIKey is VLWUYKIHMWXMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2/c23-16-8-6-15(7-9-16)21(26)25-19-11-10-17(14-4-2-1-3-5-14)18-12-13-24-22(27)20(18)19/h1-11H,12-13H2,(H,24,27)(H,25,26).
What are the key properties of 4-fluoro-N-(1-oxo-5-phenyl-3,4-dihydro-2H-isoquinolin-8-yl)benzamide?
4-fluoro-N-(1-oxo-5-phenyl-3,4-dihydro-2H-isoquinolin-8-yl)benzamide has a molecular weight of 360.39 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1-oxo-5-phenyl-3,4-dihydro-2H-isoquinolin-8-yl)benzamide is sourced from PubChem (CID 122639159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).