2-(2-fluorophenyl)-N-(2-propyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide

C20H23FN2O — CID 28811074

IUPAC2-(2-fluorophenyl)-N-(2-propyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide
SMILESCCCN1CCc2ccc(NC(=O)Cc3ccccc3F)cc2C1
InChIInChI=1S/C20H23FN2O/c1-2-10-23-11-9-15-7-8-18(12-17(15)14-23)22-20(24)13-16-5-3-4-6-19(16)21/h3-8,12H,2,9-11,13-14H2,1H3,(H,22,24)
InChIKeyKJMYWELZQUWTLH-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.78
Rot. Bonds5

About 2-(2-fluorophenyl)-N-(2-propyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide

2-(2-fluorophenyl)-N-(2-propyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide (PubChem CID 28811074) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(2-propyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(2-propyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide
PubChem CID28811074
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name2-(2-fluorophenyl)-N-(2-propyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide
SMILESCCCN1CCc2ccc(NC(=O)Cc3ccccc3F)cc2C1
InChIInChI=1S/C20H23FN2O/c1-2-10-23-11-9-15-7-8-18(12-17(15)14-23)22-20(24)13-16-5-3-4-6-19(16)21/h3-8,12H,2,9-11,13-14H2,1H3,(H,22,24)
InChIKeyKJMYWELZQUWTLH-UHFFFAOYSA-N
XLogP3.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-N-[2-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 42118526
2-(2-fluorophenyl)-N-[2-[2-(tetrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 42245487
N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-naphthalen-1-ylacetamide
CID 139894614
2-(2-fluorophenyl)-N-[2-[(3R)-pyrrolidine-3-carbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 97286208
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(2-fluorophenoxy)acetamide
CID 16942901
2-(2-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 26906999
N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-naphthalen-1-ylacetamide
CID 16943149
2-(2-fluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 110777106
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-fluorobenzamide
CID 16942831
N-(4-butylphenyl)-2-(2-fluorophenyl)acetamide
CID 100635724
N-[4-[(2R)-butan-2-yl]phenyl]-2-(2-fluorophenyl)acetamide
CID 2668849
2-(2-fluorophenyl)-N-(3-iodo-4-methylphenyl)acetamide
CID 2676752

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(2-propyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-(2-propyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide (CID 28811074) is 2-(2-fluorophenyl)-N-(2-propyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(2-propyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-(2-propyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide is CCCN1CCc2ccc(NC(=O)Cc3ccccc3F)cc2C1.
What is the InChIKey of 2-(2-fluorophenyl)-N-(2-propyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide?
The InChIKey is KJMYWELZQUWTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-2-10-23-11-9-15-7-8-18(12-17(15)14-23)22-20(24)13-16-5-3-4-6-19(16)21/h3-8,12H,2,9-11,13-14H2,1H3,(H,22,24).
What are the key properties of 2-(2-fluorophenyl)-N-(2-propyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide?
2-(2-fluorophenyl)-N-(2-propyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide has a molecular weight of 326.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-(2-propyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide is sourced from PubChem (CID 28811074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).