[2-(4-fluorobenzoyl)phenyl]-oxido-phenyliminoazanium

C19H13FN2O2 — CID 72546196

IUPAC[2-(4-fluorobenzoyl)phenyl]-oxido-phenyliminoazanium
SMILESO=C(c1ccc(F)cc1)c1ccccc1/[N+]([O-])=N/c1ccccc1
InChIInChI=1S/C19H13FN2O2/c20-15-12-10-14(11-13-15)19(23)17-8-4-5-9-18(17)22(24)21-16-6-2-1-3-7-16/h1-13H/b22-21-
InChIKeyFLDYPKZTXDKDOS-DQRAZIAOSA-N
MW320.32 g/mol
LogP4.98
Rot. Bonds4

About [2-(4-fluorobenzoyl)phenyl]-oxido-phenyliminoazanium

[2-(4-fluorobenzoyl)phenyl]-oxido-phenyliminoazanium (PubChem CID 72546196) has the molecular formula C19H13FN2O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is [2-(4-fluorobenzoyl)phenyl]-oxido-phenyliminoazanium.

Molecular Properties

Compound Name[2-(4-fluorobenzoyl)phenyl]-oxido-phenyliminoazanium
PubChem CID72546196
Molecular FormulaC19H13FN2O2
Molecular Weight320.32 g/mol
Exact Mass320.10
IUPAC Name[2-(4-fluorobenzoyl)phenyl]-oxido-phenyliminoazanium
SMILESO=C(c1ccc(F)cc1)c1ccccc1/[N+]([O-])=N/c1ccccc1
InChIInChI=1S/C19H13FN2O2/c20-15-12-10-14(11-13-15)19(23)17-8-4-5-9-18(17)22(24)21-16-6-2-1-3-7-16/h1-13H/b22-21-
InChIKeyFLDYPKZTXDKDOS-DQRAZIAOSA-N
XLogP4.98
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(4-fluorophenyl)-(2-phenyldiazenylphenyl)methanone
CID 132531231
(2-aminophenyl)-(4-fluorophenyl)methanone;fluorobenzene;(4-fluorophenyl)-(2-nitrophenyl)methanone;2-nitrobenzoyl chloride;trichloroalumane
CID 161480929
2-(4-fluorobenzoyl)benzoate
CID 5082940
(2-carboxyphenyl)-(4-chlorophenyl)imino-oxidoazanium
CID 134929390
(4-fluorophenyl)-phenylmethanone
CID 161464622
2-[2-(4-fluorobenzoyl)phenyl]acetic acid
CID 132556862
[2-(4-fluorobenzoyl)phenyl]azanium
CID 101152012
acetic acid;(2-nitrophenyl)-phenylmethanone
CID 172806545
methanimine;(2-nitrophenyl)-phenylmethanone
CID 174799548
(2-benzoyl-4-fluorophenyl)-(4-fluorophenyl)methanone
CID 139633468
azane;carbamic acid;(2-nitrophenyl)-phenylmethanone
CID 174845274
dihydroxy(oxo)phosphanium;(2-nitrophenyl)-phenylmethanone
CID 174984132

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorobenzoyl)phenyl]-oxido-phenyliminoazanium?
The IUPAC name of [2-(4-fluorobenzoyl)phenyl]-oxido-phenyliminoazanium (CID 72546196) is [2-(4-fluorobenzoyl)phenyl]-oxido-phenyliminoazanium.
What is the SMILES notation for [2-(4-fluorobenzoyl)phenyl]-oxido-phenyliminoazanium?
The canonical SMILES for [2-(4-fluorobenzoyl)phenyl]-oxido-phenyliminoazanium is O=C(c1ccc(F)cc1)c1ccccc1/[N+]([O-])=N/c1ccccc1.
What is the InChIKey of [2-(4-fluorobenzoyl)phenyl]-oxido-phenyliminoazanium?
The InChIKey is FLDYPKZTXDKDOS-DQRAZIAOSA-N. The full InChI is InChI=1S/C19H13FN2O2/c20-15-12-10-14(11-13-15)19(23)17-8-4-5-9-18(17)22(24)21-16-6-2-1-3-7-16/h1-13H/b22-21-.
What are the key properties of [2-(4-fluorobenzoyl)phenyl]-oxido-phenyliminoazanium?
[2-(4-fluorobenzoyl)phenyl]-oxido-phenyliminoazanium has a molecular weight of 320.32 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorobenzoyl)phenyl]-oxido-phenyliminoazanium is sourced from PubChem (CID 72546196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).