2-chloro-N-(3-quinoxalin-2-ylphenyl)acetamide

C16H12ClN3O — CID 1485433

IUPAC2-chloro-N-(3-quinoxalin-2-ylphenyl)acetamide
SMILESO=C(CCl)Nc1cccc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C16H12ClN3O/c17-9-16(21)19-12-5-3-4-11(8-12)15-10-18-13-6-1-2-7-14(13)20-15/h1-8,10H,9H2,(H,19,21)
InChIKeyWBRXCUKAZWEAJZ-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.47
Rot. Bonds3

About 2-chloro-N-(3-quinoxalin-2-ylphenyl)acetamide

2-chloro-N-(3-quinoxalin-2-ylphenyl)acetamide (PubChem CID 1485433) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 2-chloro-N-(3-quinoxalin-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3-quinoxalin-2-ylphenyl)acetamide
PubChem CID1485433
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name2-chloro-N-(3-quinoxalin-2-ylphenyl)acetamide
SMILESO=C(CCl)Nc1cccc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C16H12ClN3O/c17-9-16(21)19-12-5-3-4-11(8-12)15-10-18-13-6-1-2-7-14(13)20-15/h1-8,10H,9H2,(H,19,21)
InChIKeyWBRXCUKAZWEAJZ-UHFFFAOYSA-N
XLogP3.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-quinoxalin-2-ylphenyl)acetamide?
The IUPAC name of 2-chloro-N-(3-quinoxalin-2-ylphenyl)acetamide (CID 1485433) is 2-chloro-N-(3-quinoxalin-2-ylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(3-quinoxalin-2-ylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(3-quinoxalin-2-ylphenyl)acetamide is O=C(CCl)Nc1cccc(-c2cnc3ccccc3n2)c1.
What is the InChIKey of 2-chloro-N-(3-quinoxalin-2-ylphenyl)acetamide?
The InChIKey is WBRXCUKAZWEAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-9-16(21)19-12-5-3-4-11(8-12)15-10-18-13-6-1-2-7-14(13)20-15/h1-8,10H,9H2,(H,19,21).
What are the key properties of 2-chloro-N-(3-quinoxalin-2-ylphenyl)acetamide?
2-chloro-N-(3-quinoxalin-2-ylphenyl)acetamide has a molecular weight of 297.75 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-quinoxalin-2-ylphenyl)acetamide is sourced from PubChem (CID 1485433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).