2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide

C16H12FN3O — CID 135683096

IUPAC2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1ccccc1F
InChIInChI=1S/C16H12FN3O/c17-14-7-3-1-6-13(14)16(21)20-19-10-11-9-18-15-8-4-2-5-12(11)15/h1-10,18H,(H,20,21)/b19-10+
InChIKeyLZKJWUGISAYMPT-VXLYETTFSA-N
MW281.29 g/mol
LogP3.07
Rot. Bonds3

About 2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide

2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide (PubChem CID 135683096) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
PubChem CID135683096
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1ccccc1F
InChIInChI=1S/C16H12FN3O/c17-14-7-3-1-6-13(14)16(21)20-19-10-11-9-18-15-8-4-2-5-12(11)15/h1-10,18H,(H,20,21)/b19-10+
InChIKeyLZKJWUGISAYMPT-VXLYETTFSA-N
XLogP3.07
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
2-benzamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135479703
N-[(E)-1H-indol-3-ylmethylideneamino]-2-(trifluoromethoxy)benzamide
CID 135804189
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
2,4-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136663043
3-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 135606906
N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzothiophene-3-carboxamide
CID 135647349
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide
CID 135782076
N-(1H-indol-3-ylmethylideneamino)-2-propan-2-yloxybenzamide
CID 5001701
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135715615
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide
CID 135814043

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide?
The IUPAC name of 2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide (CID 135683096) is 2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide.
What is the SMILES notation for 2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide?
The canonical SMILES for 2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide is O=C(N/N=C/c1c[nH]c2ccccc12)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide?
The InChIKey is LZKJWUGISAYMPT-VXLYETTFSA-N. The full InChI is InChI=1S/C16H12FN3O/c17-14-7-3-1-6-13(14)16(21)20-19-10-11-9-18-15-8-4-2-5-12(11)15/h1-10,18H,(H,20,21)/b19-10+.
What are the key properties of 2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide?
2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide has a molecular weight of 281.29 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide is sourced from PubChem (CID 135683096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).