3-(2-fluorophenyl)-N-quinoxalin-6-ylpropanamide

C17H14FN3O — CID 110723729

IUPAC3-(2-fluorophenyl)-N-quinoxalin-6-ylpropanamide
SMILESO=C(CCc1ccccc1F)Nc1ccc2nccnc2c1
InChIInChI=1S/C17H14FN3O/c18-14-4-2-1-3-12(14)5-8-17(22)21-13-6-7-15-16(11-13)20-10-9-19-15/h1-4,6-7,9-11H,5,8H2,(H,21,22)
InChIKeyANQLLCAMLFQWTL-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.34
Rot. Bonds4

About 3-(2-fluorophenyl)-N-quinoxalin-6-ylpropanamide

3-(2-fluorophenyl)-N-quinoxalin-6-ylpropanamide (PubChem CID 110723729) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-quinoxalin-6-ylpropanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-quinoxalin-6-ylpropanamide
PubChem CID110723729
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC Name3-(2-fluorophenyl)-N-quinoxalin-6-ylpropanamide
SMILESO=C(CCc1ccccc1F)Nc1ccc2nccnc2c1
InChIInChI=1S/C17H14FN3O/c18-14-4-2-1-3-12(14)5-8-17(22)21-13-6-7-15-16(11-13)20-10-9-19-15/h1-4,6-7,9-11H,5,8H2,(H,21,22)
InChIKeyANQLLCAMLFQWTL-UHFFFAOYSA-N
XLogP3.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)-N-quinoxalin-6-ylacetamide
CID 110723730
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N-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]cyclopropanecarboxamide
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ethyl 3-[3-(2-fluorophenyl)propanoylamino]benzoate
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3-(2-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
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3-(2-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110607968
3-(2,3-dimethoxyphenyl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide
CID 55815444
3-(2-fluorophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-quinoxalin-6-ylpropanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-quinoxalin-6-ylpropanamide (CID 110723729) is 3-(2-fluorophenyl)-N-quinoxalin-6-ylpropanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-quinoxalin-6-ylpropanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-quinoxalin-6-ylpropanamide is O=C(CCc1ccccc1F)Nc1ccc2nccnc2c1.
What is the InChIKey of 3-(2-fluorophenyl)-N-quinoxalin-6-ylpropanamide?
The InChIKey is ANQLLCAMLFQWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c18-14-4-2-1-3-12(14)5-8-17(22)21-13-6-7-15-16(11-13)20-10-9-19-15/h1-4,6-7,9-11H,5,8H2,(H,21,22).
What are the key properties of 3-(2-fluorophenyl)-N-quinoxalin-6-ylpropanamide?
3-(2-fluorophenyl)-N-quinoxalin-6-ylpropanamide has a molecular weight of 295.32 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-quinoxalin-6-ylpropanamide is sourced from PubChem (CID 110723729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).