2-(4-chloro-2-fluorophenyl)-N-(6-chloro-1-oxo-2H-isoquinolin-5-yl)acetamide

C17H11Cl2FN2O2 — CID 141222597

IUPAC2-(4-chloro-2-fluorophenyl)-N-(6-chloro-1-oxo-2H-isoquinolin-5-yl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1F)Nc1c(Cl)ccc2c(=O)[nH]ccc12
InChIInChI=1S/C17H11Cl2FN2O2/c18-10-2-1-9(14(20)8-10)7-15(23)22-16-11-5-6-21-17(24)12(11)3-4-13(16)19/h1-6,8H,7H2,(H,21,24)(H,22,23)
InChIKeyKAMYAOTYIHLWRU-UHFFFAOYSA-N
MW365.19 g/mol
LogP4.16
Rot. Bonds3

About 2-(4-chloro-2-fluorophenyl)-N-(6-chloro-1-oxo-2H-isoquinolin-5-yl)acetamide

2-(4-chloro-2-fluorophenyl)-N-(6-chloro-1-oxo-2H-isoquinolin-5-yl)acetamide (PubChem CID 141222597) has the molecular formula C17H11Cl2FN2O2 and a molecular weight of 365.19 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-N-(6-chloro-1-oxo-2H-isoquinolin-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-N-(6-chloro-1-oxo-2H-isoquinolin-5-yl)acetamide
PubChem CID141222597
Molecular FormulaC17H11Cl2FN2O2
Molecular Weight365.19 g/mol
Exact Mass364.02
IUPAC Name2-(4-chloro-2-fluorophenyl)-N-(6-chloro-1-oxo-2H-isoquinolin-5-yl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1F)Nc1c(Cl)ccc2c(=O)[nH]ccc12
InChIInChI=1S/C17H11Cl2FN2O2/c18-10-2-1-9(14(20)8-10)7-15(23)22-16-11-5-6-21-17(24)12(11)3-4-13(16)19/h1-6,8H,7H2,(H,21,24)(H,22,23)
InChIKeyKAMYAOTYIHLWRU-UHFFFAOYSA-N
XLogP4.16
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.19
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-(6-chloro-1-oxo-2H-isoquinolin-5-yl)acetamide?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-(6-chloro-1-oxo-2H-isoquinolin-5-yl)acetamide (CID 141222597) is 2-(4-chloro-2-fluorophenyl)-N-(6-chloro-1-oxo-2H-isoquinolin-5-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-N-(6-chloro-1-oxo-2H-isoquinolin-5-yl)acetamide?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-N-(6-chloro-1-oxo-2H-isoquinolin-5-yl)acetamide is O=C(Cc1ccc(Cl)cc1F)Nc1c(Cl)ccc2c(=O)[nH]ccc12.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-N-(6-chloro-1-oxo-2H-isoquinolin-5-yl)acetamide?
The InChIKey is KAMYAOTYIHLWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2FN2O2/c18-10-2-1-9(14(20)8-10)7-15(23)22-16-11-5-6-21-17(24)12(11)3-4-13(16)19/h1-6,8H,7H2,(H,21,24)(H,22,23).
What are the key properties of 2-(4-chloro-2-fluorophenyl)-N-(6-chloro-1-oxo-2H-isoquinolin-5-yl)acetamide?
2-(4-chloro-2-fluorophenyl)-N-(6-chloro-1-oxo-2H-isoquinolin-5-yl)acetamide has a molecular weight of 365.19 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-N-(6-chloro-1-oxo-2H-isoquinolin-5-yl)acetamide is sourced from PubChem (CID 141222597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).