N-(1-aminoethylideneamino)-4-fluorobenzamide

C9H10FN3O — CID 86065871

IUPACN-(1-aminoethylideneamino)-4-fluorobenzamide
SMILESCC(N)=NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C9H10FN3O/c1-6(11)12-13-9(14)7-2-4-8(10)5-3-7/h2-5H,1H3,(H2,11,12)(H,13,14)
InChIKeyFFYTZAZDUSZIJG-UHFFFAOYSA-N
MW195.20 g/mol
LogP0.85
Rot. Bonds2

About N-(1-aminoethylideneamino)-4-fluorobenzamide

N-(1-aminoethylideneamino)-4-fluorobenzamide (PubChem CID 86065871) has the molecular formula C9H10FN3O and a molecular weight of 195.20 g/mol. Its IUPAC name is N-(1-aminoethylideneamino)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1-aminoethylideneamino)-4-fluorobenzamide
PubChem CID86065871
Molecular FormulaC9H10FN3O
Molecular Weight195.20 g/mol
Exact Mass195.08
IUPAC NameN-(1-aminoethylideneamino)-4-fluorobenzamide
SMILESCC(N)=NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C9H10FN3O/c1-6(11)12-13-9(14)7-2-4-8(10)5-3-7/h2-5H,1H3,(H2,11,12)(H,13,14)
InChIKeyFFYTZAZDUSZIJG-UHFFFAOYSA-N
XLogP0.85
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-(propan-2-ylideneamino)benzamide
CID 847533
4-fluoro-N-(3-methylbutan-2-ylideneamino)benzamide
CID 4131322
4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6026016
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide
CID 6183873
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3543843
N-[1-(4-fluorophenyl)ethylideneamino]-4-propan-2-ylbenzamide
CID 5112847
N-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide
CID 4123308
4-fluoro-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 847534
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 6022107
4-fluorobenzohydrazide
CID 9972
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3617176
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethylideneamino)-4-fluorobenzamide?
The IUPAC name of N-(1-aminoethylideneamino)-4-fluorobenzamide (CID 86065871) is N-(1-aminoethylideneamino)-4-fluorobenzamide.
What is the SMILES notation for N-(1-aminoethylideneamino)-4-fluorobenzamide?
The canonical SMILES for N-(1-aminoethylideneamino)-4-fluorobenzamide is CC(N)=NNC(=O)c1ccc(F)cc1.
What is the InChIKey of N-(1-aminoethylideneamino)-4-fluorobenzamide?
The InChIKey is FFYTZAZDUSZIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O/c1-6(11)12-13-9(14)7-2-4-8(10)5-3-7/h2-5H,1H3,(H2,11,12)(H,13,14).
What are the key properties of N-(1-aminoethylideneamino)-4-fluorobenzamide?
N-(1-aminoethylideneamino)-4-fluorobenzamide has a molecular weight of 195.20 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethylideneamino)-4-fluorobenzamide is sourced from PubChem (CID 86065871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).