2-(2-fluorophenyl)-N-[2-[2-(tetrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]acetamide

C20H19FN6O2 — CID 42245487

IUPAC2-(2-fluorophenyl)-N-[2-[2-(tetrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
SMILESO=C(Cc1ccccc1F)Nc1ccc2c(c1)CN(C(=O)Cn1cnnn1)CC2
InChIInChI=1S/C20H19FN6O2/c21-18-4-2-1-3-15(18)10-19(28)23-17-6-5-14-7-8-26(11-16(14)9-17)20(29)12-27-13-22-24-25-27/h1-6,9,13H,7-8,10-12H2,(H,23,28)
InChIKeyMFVHEFZHISOTCT-UHFFFAOYSA-N
MW394.41 g/mol
LogP1.58
Rot. Bonds5

About 2-(2-fluorophenyl)-N-[2-[2-(tetrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]acetamide

2-(2-fluorophenyl)-N-[2-[2-(tetrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]acetamide (PubChem CID 42245487) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[2-[2-(tetrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[2-[2-(tetrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
PubChem CID42245487
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name2-(2-fluorophenyl)-N-[2-[2-(tetrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
SMILESO=C(Cc1ccccc1F)Nc1ccc2c(c1)CN(C(=O)Cn1cnnn1)CC2
InChIInChI=1S/C20H19FN6O2/c21-18-4-2-1-3-15(18)10-19(28)23-17-6-5-14-7-8-26(11-16(14)9-17)20(29)12-27-13-22-24-25-27/h1-6,9,13H,7-8,10-12H2,(H,23,28)
InChIKeyMFVHEFZHISOTCT-UHFFFAOYSA-N
XLogP1.58
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-fluorophenyl)-N-(2-propyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide
CID 28811074
2-(2-fluorophenyl)-N-[2-[(3R)-pyrrolidine-3-carbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 97286208
2-(2-fluorophenyl)-N-[2-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 42118526
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(2-fluorophenoxy)acetamide
CID 16942901
N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-naphthalen-1-ylacetamide
CID 16943149
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-fluorobenzamide
CID 16942831
3,3-dimethyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)butanamide
CID 16943007
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(3-methylphenyl)acetamide
CID 16942868
N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-naphthalen-1-ylacetamide
CID 139894614
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-ethoxyphenyl)acetamide
CID 16942838
2-(2-methylphenoxy)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide
CID 16943033
2-(2-fluorophenyl)-N-(4-hydroxyphenyl)acetamide
CID 28739611

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[2-[2-(tetrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[2-[2-(tetrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]acetamide (CID 42245487) is 2-(2-fluorophenyl)-N-[2-[2-(tetrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[2-[2-(tetrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[2-[2-(tetrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]acetamide is O=C(Cc1ccccc1F)Nc1ccc2c(c1)CN(C(=O)Cn1cnnn1)CC2.
What is the InChIKey of 2-(2-fluorophenyl)-N-[2-[2-(tetrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]acetamide?
The InChIKey is MFVHEFZHISOTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2/c21-18-4-2-1-3-15(18)10-19(28)23-17-6-5-14-7-8-26(11-16(14)9-17)20(29)12-27-13-22-24-25-27/h1-6,9,13H,7-8,10-12H2,(H,23,28).
What are the key properties of 2-(2-fluorophenyl)-N-[2-[2-(tetrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]acetamide?
2-(2-fluorophenyl)-N-[2-[2-(tetrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]acetamide has a molecular weight of 394.41 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[2-[2-(tetrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]acetamide is sourced from PubChem (CID 42245487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).