N-[(E)-benzylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide

C17H14FN3O2 — CID 167527215

IUPACN-[(E)-benzylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide
SMILESO=C(CN1C(=O)Cc2cc(F)ccc21)N/N=C/c1ccccc1
InChIInChI=1S/C17H14FN3O2/c18-14-6-7-15-13(8-14)9-17(23)21(15)11-16(22)20-19-10-12-4-2-1-3-5-12/h1-8,10H,9,11H2,(H,20,22)/b19-10+
InChIKeySCEJLYBXGPQBPN-VXLYETTFSA-N
MW311.32 g/mol
LogP1.87
Rot. Bonds4

About N-[(E)-benzylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide

N-[(E)-benzylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide (PubChem CID 167527215) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide
PubChem CID167527215
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC NameN-[(E)-benzylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide
SMILESO=C(CN1C(=O)Cc2cc(F)ccc21)N/N=C/c1ccccc1
InChIInChI=1S/C17H14FN3O2/c18-14-6-7-15-13(8-14)9-17(23)21(15)11-16(22)20-19-10-12-4-2-1-3-5-12/h1-8,10H,9,11H2,(H,20,22)/b19-10+
InChIKeySCEJLYBXGPQBPN-VXLYETTFSA-N
XLogP1.87
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(E)-(4-fluorophenyl)methylideneamino]-2-phenylacetamide
CID 6899001
N-(benzylideneamino)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 4092454
2-(azepan-1-yl)-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 786204
N-(benzylideneamino)-2-(4-ethylpiperazin-1-yl)acetamide
CID 791586
1-[(2-aminocyclopropyl)methyl]-5-fluoro-3H-indol-2-one
CID 76853933
N-[(E)-benzylideneamino]butanamide
CID 6872028
N,N'-bis[(Z)-(4-fluorophenyl)methylideneamino]decanediamide
CID 6277081
N-[(4-fluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 2692829
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
N-[(Z)-(4-fluorophenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide chloride
CID 132933007
2-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]-3H-indole-5-carboxylic acid
CID 102711165

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide?
The IUPAC name of N-[(E)-benzylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide (CID 167527215) is N-[(E)-benzylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide?
The canonical SMILES for N-[(E)-benzylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide is O=C(CN1C(=O)Cc2cc(F)ccc21)N/N=C/c1ccccc1.
What is the InChIKey of N-[(E)-benzylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide?
The InChIKey is SCEJLYBXGPQBPN-VXLYETTFSA-N. The full InChI is InChI=1S/C17H14FN3O2/c18-14-6-7-15-13(8-14)9-17(23)21(15)11-16(22)20-19-10-12-4-2-1-3-5-12/h1-8,10H,9,11H2,(H,20,22)/b19-10+.
What are the key properties of N-[(E)-benzylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide?
N-[(E)-benzylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide has a molecular weight of 311.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide is sourced from PubChem (CID 167527215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).