2-chloro-N-(4-quinoxalin-2-yloxyphenyl)acetamide

C16H12ClN3O2 — CID 1473245

IUPAC2-chloro-N-(4-quinoxalin-2-yloxyphenyl)acetamide
SMILESO=C(CCl)Nc1ccc(Oc2cnc3ccccc3n2)cc1
InChIInChI=1S/C16H12ClN3O2/c17-9-15(21)19-11-5-7-12(8-6-11)22-16-10-18-13-3-1-2-4-14(13)20-16/h1-8,10H,9H2,(H,19,21)
InChIKeyIDDWMUSDKXSVDY-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.60
Rot. Bonds4

About 2-chloro-N-(4-quinoxalin-2-yloxyphenyl)acetamide

2-chloro-N-(4-quinoxalin-2-yloxyphenyl)acetamide (PubChem CID 1473245) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is 2-chloro-N-(4-quinoxalin-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-quinoxalin-2-yloxyphenyl)acetamide
PubChem CID1473245
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC Name2-chloro-N-(4-quinoxalin-2-yloxyphenyl)acetamide
SMILESO=C(CCl)Nc1ccc(Oc2cnc3ccccc3n2)cc1
InChIInChI=1S/C16H12ClN3O2/c17-9-15(21)19-11-5-7-12(8-6-11)22-16-10-18-13-3-1-2-4-14(13)20-16/h1-8,10H,9H2,(H,19,21)
InChIKeyIDDWMUSDKXSVDY-UHFFFAOYSA-N
XLogP3.60
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-quinoxalin-2-yloxyphenyl)acetamide?
The IUPAC name of 2-chloro-N-(4-quinoxalin-2-yloxyphenyl)acetamide (CID 1473245) is 2-chloro-N-(4-quinoxalin-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(4-quinoxalin-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(4-quinoxalin-2-yloxyphenyl)acetamide is O=C(CCl)Nc1ccc(Oc2cnc3ccccc3n2)cc1.
What is the InChIKey of 2-chloro-N-(4-quinoxalin-2-yloxyphenyl)acetamide?
The InChIKey is IDDWMUSDKXSVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c17-9-15(21)19-11-5-7-12(8-6-11)22-16-10-18-13-3-1-2-4-14(13)20-16/h1-8,10H,9H2,(H,19,21).
What are the key properties of 2-chloro-N-(4-quinoxalin-2-yloxyphenyl)acetamide?
2-chloro-N-(4-quinoxalin-2-yloxyphenyl)acetamide has a molecular weight of 313.74 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-quinoxalin-2-yloxyphenyl)acetamide is sourced from PubChem (CID 1473245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).