N-(5-chloro-7-fluoroisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide

C17H11Cl2FN2O — CID 169423269

IUPACN-(5-chloro-7-fluoroisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1cncc2cc(F)cc(Cl)c12
InChIInChI=1S/C17H11Cl2FN2O/c18-12-3-1-2-10(4-12)5-16(23)22-15-9-21-8-11-6-13(20)7-14(19)17(11)15/h1-4,6-9H,5H2,(H,22,23)
InChIKeyYJSUKAGBYSFERL-UHFFFAOYSA-N
MW349.19 g/mol
LogP4.86
Rot. Bonds3

About N-(5-chloro-7-fluoroisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide

N-(5-chloro-7-fluoroisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide (PubChem CID 169423269) has the molecular formula C17H11Cl2FN2O and a molecular weight of 349.19 g/mol. Its IUPAC name is N-(5-chloro-7-fluoroisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-7-fluoroisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide
PubChem CID169423269
Molecular FormulaC17H11Cl2FN2O
Molecular Weight349.19 g/mol
Exact Mass348.02
IUPAC NameN-(5-chloro-7-fluoroisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1cncc2cc(F)cc(Cl)c12
InChIInChI=1S/C17H11Cl2FN2O/c18-12-3-1-2-10(4-12)5-16(23)22-15-9-21-8-11-6-13(20)7-14(19)17(11)15/h1-4,6-9H,5H2,(H,22,23)
InChIKeyYJSUKAGBYSFERL-UHFFFAOYSA-N
XLogP4.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-7-fluoroisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide?
The IUPAC name of N-(5-chloro-7-fluoroisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide (CID 169423269) is N-(5-chloro-7-fluoroisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide.
What is the SMILES notation for N-(5-chloro-7-fluoroisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide?
The canonical SMILES for N-(5-chloro-7-fluoroisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide is O=C(Cc1cccc(Cl)c1)Nc1cncc2cc(F)cc(Cl)c12.
What is the InChIKey of N-(5-chloro-7-fluoroisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide?
The InChIKey is YJSUKAGBYSFERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2FN2O/c18-12-3-1-2-10(4-12)5-16(23)22-15-9-21-8-11-6-13(20)7-14(19)17(11)15/h1-4,6-9H,5H2,(H,22,23).
What are the key properties of N-(5-chloro-7-fluoroisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide?
N-(5-chloro-7-fluoroisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide has a molecular weight of 349.19 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-7-fluoroisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide is sourced from PubChem (CID 169423269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).