2-acetamido-N-(8-chloroquinolin-2-yl)acetamide

C13H12ClN3O2 — CID 75500425

IUPAC2-acetamido-N-(8-chloroquinolin-2-yl)acetamide
SMILESCC(=O)NCC(=O)Nc1ccc2cccc(Cl)c2n1
InChIInChI=1S/C13H12ClN3O2/c1-8(18)15-7-12(19)16-11-6-5-9-3-2-4-10(14)13(9)17-11/h2-6H,7H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyAPLHZFCUWYMEFM-UHFFFAOYSA-N
MW277.71 g/mol
LogP1.96
Rot. Bonds3

About 2-acetamido-N-(8-chloroquinolin-2-yl)acetamide

2-acetamido-N-(8-chloroquinolin-2-yl)acetamide (PubChem CID 75500425) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 2-acetamido-N-(8-chloroquinolin-2-yl)acetamide.

Molecular Properties

Compound Name2-acetamido-N-(8-chloroquinolin-2-yl)acetamide
PubChem CID75500425
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name2-acetamido-N-(8-chloroquinolin-2-yl)acetamide
SMILESCC(=O)NCC(=O)Nc1ccc2cccc(Cl)c2n1
InChIInChI=1S/C13H12ClN3O2/c1-8(18)15-7-12(19)16-11-6-5-9-3-2-4-10(14)13(9)17-11/h2-6H,7H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyAPLHZFCUWYMEFM-UHFFFAOYSA-N
XLogP1.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(8-chloroquinolin-2-yl)acetamide?
The IUPAC name of 2-acetamido-N-(8-chloroquinolin-2-yl)acetamide (CID 75500425) is 2-acetamido-N-(8-chloroquinolin-2-yl)acetamide.
What is the SMILES notation for 2-acetamido-N-(8-chloroquinolin-2-yl)acetamide?
The canonical SMILES for 2-acetamido-N-(8-chloroquinolin-2-yl)acetamide is CC(=O)NCC(=O)Nc1ccc2cccc(Cl)c2n1.
What is the InChIKey of 2-acetamido-N-(8-chloroquinolin-2-yl)acetamide?
The InChIKey is APLHZFCUWYMEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-8(18)15-7-12(19)16-11-6-5-9-3-2-4-10(14)13(9)17-11/h2-6H,7H2,1H3,(H,15,18)(H,16,17,19).
What are the key properties of 2-acetamido-N-(8-chloroquinolin-2-yl)acetamide?
2-acetamido-N-(8-chloroquinolin-2-yl)acetamide has a molecular weight of 277.71 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(8-chloroquinolin-2-yl)acetamide is sourced from PubChem (CID 75500425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).