2-(3-chlorophenyl)-N-(8-fluoroisoquinolin-4-yl)acetamide

C17H12ClFN2O — CID 156906375

IUPAC2-(3-chlorophenyl)-N-(8-fluoroisoquinolin-4-yl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1cncc2c(F)cccc12
InChIInChI=1S/C17H12ClFN2O/c18-12-4-1-3-11(7-12)8-17(22)21-16-10-20-9-14-13(16)5-2-6-15(14)19/h1-7,9-10H,8H2,(H,21,22)
InChIKeyWFMSCOMUABQZQN-UHFFFAOYSA-N
MW314.75 g/mol
LogP4.21
Rot. Bonds3

About 2-(3-chlorophenyl)-N-(8-fluoroisoquinolin-4-yl)acetamide

2-(3-chlorophenyl)-N-(8-fluoroisoquinolin-4-yl)acetamide (PubChem CID 156906375) has the molecular formula C17H12ClFN2O and a molecular weight of 314.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(8-fluoroisoquinolin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(8-fluoroisoquinolin-4-yl)acetamide
PubChem CID156906375
Molecular FormulaC17H12ClFN2O
Molecular Weight314.75 g/mol
Exact Mass314.06
IUPAC Name2-(3-chlorophenyl)-N-(8-fluoroisoquinolin-4-yl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1cncc2c(F)cccc12
InChIInChI=1S/C17H12ClFN2O/c18-12-4-1-3-11(7-12)8-17(22)21-16-10-20-9-14-13(16)5-2-6-15(14)19/h1-7,9-10H,8H2,(H,21,22)
InChIKeyWFMSCOMUABQZQN-UHFFFAOYSA-N
XLogP4.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(8-fluoroisoquinolin-4-yl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(8-fluoroisoquinolin-4-yl)acetamide (CID 156906375) is 2-(3-chlorophenyl)-N-(8-fluoroisoquinolin-4-yl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(8-fluoroisoquinolin-4-yl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(8-fluoroisoquinolin-4-yl)acetamide is O=C(Cc1cccc(Cl)c1)Nc1cncc2c(F)cccc12.
What is the InChIKey of 2-(3-chlorophenyl)-N-(8-fluoroisoquinolin-4-yl)acetamide?
The InChIKey is WFMSCOMUABQZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O/c18-12-4-1-3-11(7-12)8-17(22)21-16-10-20-9-14-13(16)5-2-6-15(14)19/h1-7,9-10H,8H2,(H,21,22).
What are the key properties of 2-(3-chlorophenyl)-N-(8-fluoroisoquinolin-4-yl)acetamide?
2-(3-chlorophenyl)-N-(8-fluoroisoquinolin-4-yl)acetamide has a molecular weight of 314.75 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(8-fluoroisoquinolin-4-yl)acetamide is sourced from PubChem (CID 156906375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).