N-(6-chloro-8-fluoroquinolin-2-yl)acetamide

C11H8ClFN2O — CID 169489389

IUPACN-(6-chloro-8-fluoroquinolin-2-yl)acetamide
SMILESCC(=O)Nc1ccc2cc(Cl)cc(F)c2n1
InChIInChI=1S/C11H8ClFN2O/c1-6(16)14-10-3-2-7-4-8(12)5-9(13)11(7)15-10/h2-5H,1H3,(H,14,15,16)
InChIKeyCJRVANHZMBTULM-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.99
Rot. Bonds1

About N-(6-chloro-8-fluoroquinolin-2-yl)acetamide

N-(6-chloro-8-fluoroquinolin-2-yl)acetamide (PubChem CID 169489389) has the molecular formula C11H8ClFN2O and a molecular weight of 238.65 g/mol. Its IUPAC name is N-(6-chloro-8-fluoroquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-8-fluoroquinolin-2-yl)acetamide
PubChem CID169489389
Molecular FormulaC11H8ClFN2O
Molecular Weight238.65 g/mol
Exact Mass238.03
IUPAC NameN-(6-chloro-8-fluoroquinolin-2-yl)acetamide
SMILESCC(=O)Nc1ccc2cc(Cl)cc(F)c2n1
InChIInChI=1S/C11H8ClFN2O/c1-6(16)14-10-3-2-7-4-8(12)5-9(13)11(7)15-10/h2-5H,1H3,(H,14,15,16)
InChIKeyCJRVANHZMBTULM-UHFFFAOYSA-N
XLogP2.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-8-fluoroquinolin-2-yl)acetamide?
The IUPAC name of N-(6-chloro-8-fluoroquinolin-2-yl)acetamide (CID 169489389) is N-(6-chloro-8-fluoroquinolin-2-yl)acetamide.
What is the SMILES notation for N-(6-chloro-8-fluoroquinolin-2-yl)acetamide?
The canonical SMILES for N-(6-chloro-8-fluoroquinolin-2-yl)acetamide is CC(=O)Nc1ccc2cc(Cl)cc(F)c2n1.
What is the InChIKey of N-(6-chloro-8-fluoroquinolin-2-yl)acetamide?
The InChIKey is CJRVANHZMBTULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O/c1-6(16)14-10-3-2-7-4-8(12)5-9(13)11(7)15-10/h2-5H,1H3,(H,14,15,16).
What are the key properties of N-(6-chloro-8-fluoroquinolin-2-yl)acetamide?
N-(6-chloro-8-fluoroquinolin-2-yl)acetamide has a molecular weight of 238.65 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-8-fluoroquinolin-2-yl)acetamide is sourced from PubChem (CID 169489389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).