2-fluoro-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide

C16H11FN4O — CID 9214964

IUPAC2-fluoro-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C\c1cnc2ccccc2n1)c1ccccc1F
InChIInChI=1S/C16H11FN4O/c17-13-6-2-1-5-12(13)16(22)21-19-10-11-9-18-14-7-3-4-8-15(14)20-11/h1-10H,(H,21,22)/b19-10-
InChIKeyJQLJXVXJZNGQER-GRSHGNNSSA-N
MW294.29 g/mol
LogP2.53
Rot. Bonds3

About 2-fluoro-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide

2-fluoro-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide (PubChem CID 9214964) has the molecular formula C16H11FN4O and a molecular weight of 294.29 g/mol. Its IUPAC name is 2-fluoro-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
PubChem CID9214964
Molecular FormulaC16H11FN4O
Molecular Weight294.29 g/mol
Exact Mass294.09
IUPAC Name2-fluoro-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C\c1cnc2ccccc2n1)c1ccccc1F
InChIInChI=1S/C16H11FN4O/c17-13-6-2-1-5-12(13)16(22)21-19-10-11-9-18-14-7-3-4-8-15(14)20-11/h1-10H,(H,21,22)/b19-10-
InChIKeyJQLJXVXJZNGQER-GRSHGNNSSA-N
XLogP2.53
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[(E)-quinoxalin-2-ylmethylideneamino]benzamide
CID 6871314
2-methoxy-N-(quinoxalin-2-ylmethylideneamino)benzamide
CID 821630
4-hydroxy-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9212160
N-[(Z)-quinoxalin-2-ylmethylideneamino]pyridine-2-carboxamide
CID 9194647
4-amino-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9034461
4-ethyl-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9234354
N-(quinoxalin-2-ylmethylideneamino)cyclopropanecarboxamide
CID 1223964
1-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]urea
CID 9243242
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
4-bromo-N-[(Z)-quinoxalin-2-ylmethylideneamino]-1H-pyrrole-2-carboxamide
CID 8983406
1,2-bis[(E)-quinoxalin-2-ylmethylideneamino]guanidine
CID 127033482
N-propan-2-yl-N'-[(Z)-quinoxalin-2-ylmethylideneamino]oxamide
CID 9352105

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide?
The IUPAC name of 2-fluoro-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide (CID 9214964) is 2-fluoro-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 2-fluoro-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide?
The canonical SMILES for 2-fluoro-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide is O=C(N/N=C\c1cnc2ccccc2n1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide?
The InChIKey is JQLJXVXJZNGQER-GRSHGNNSSA-N. The full InChI is InChI=1S/C16H11FN4O/c17-13-6-2-1-5-12(13)16(22)21-19-10-11-9-18-14-7-3-4-8-15(14)20-11/h1-10H,(H,21,22)/b19-10-.
What are the key properties of 2-fluoro-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide?
2-fluoro-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide has a molecular weight of 294.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 9214964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).