4-chloro-N-(3-quinoxalin-2-ylphenyl)butanamide

C18H16ClN3O — CID 46917073

IUPAC4-chloro-N-(3-quinoxalin-2-ylphenyl)butanamide
SMILESO=C(CCCCl)Nc1cccc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C18H16ClN3O/c19-10-4-9-18(23)21-14-6-3-5-13(11-14)17-12-20-15-7-1-2-8-16(15)22-17/h1-3,5-8,11-12H,4,9-10H2,(H,21,23)
InChIKeyPRPDRFAGTXCLHG-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.25
Rot. Bonds5

About 4-chloro-N-(3-quinoxalin-2-ylphenyl)butanamide

4-chloro-N-(3-quinoxalin-2-ylphenyl)butanamide (PubChem CID 46917073) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 4-chloro-N-(3-quinoxalin-2-ylphenyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(3-quinoxalin-2-ylphenyl)butanamide
PubChem CID46917073
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name4-chloro-N-(3-quinoxalin-2-ylphenyl)butanamide
SMILESO=C(CCCCl)Nc1cccc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C18H16ClN3O/c19-10-4-9-18(23)21-14-6-3-5-13(11-14)17-12-20-15-7-1-2-8-16(15)22-17/h1-3,5-8,11-12H,4,9-10H2,(H,21,23)
InChIKeyPRPDRFAGTXCLHG-UHFFFAOYSA-N
XLogP4.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.25
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 4-chloro-N-(3-quinoxalin-2-ylphenyl)butanamide?
The IUPAC name of 4-chloro-N-(3-quinoxalin-2-ylphenyl)butanamide (CID 46917073) is 4-chloro-N-(3-quinoxalin-2-ylphenyl)butanamide.
What is the SMILES notation for 4-chloro-N-(3-quinoxalin-2-ylphenyl)butanamide?
The canonical SMILES for 4-chloro-N-(3-quinoxalin-2-ylphenyl)butanamide is O=C(CCCCl)Nc1cccc(-c2cnc3ccccc3n2)c1.
What is the InChIKey of 4-chloro-N-(3-quinoxalin-2-ylphenyl)butanamide?
The InChIKey is PRPDRFAGTXCLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-10-4-9-18(23)21-14-6-3-5-13(11-14)17-12-20-15-7-1-2-8-16(15)22-17/h1-3,5-8,11-12H,4,9-10H2,(H,21,23).
What are the key properties of 4-chloro-N-(3-quinoxalin-2-ylphenyl)butanamide?
4-chloro-N-(3-quinoxalin-2-ylphenyl)butanamide has a molecular weight of 325.80 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-quinoxalin-2-ylphenyl)butanamide is sourced from PubChem (CID 46917073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).