N'-anilino-N-(4-fluorophenyl)iminobenzenecarboximidamide

C19H15FN4 — CID 157010824

IUPACN'-anilino-N-(4-fluorophenyl)iminobenzenecarboximidamide
SMILESFc1ccc(/N=N/C(=NNc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15FN4/c20-16-11-13-18(14-12-16)22-24-19(15-7-3-1-4-8-15)23-21-17-9-5-2-6-10-17/h1-14,21H/b23-19?,24-22+
InChIKeyJAIOOPWASHZMBR-KSQZLRTGSA-N
MW318.36 g/mol
LogP5.38
Rot. Bonds4

About N'-anilino-N-(4-fluorophenyl)iminobenzenecarboximidamide

N'-anilino-N-(4-fluorophenyl)iminobenzenecarboximidamide (PubChem CID 157010824) has the molecular formula C19H15FN4 and a molecular weight of 318.36 g/mol. Its IUPAC name is N'-anilino-N-(4-fluorophenyl)iminobenzenecarboximidamide.

Molecular Properties

Compound NameN'-anilino-N-(4-fluorophenyl)iminobenzenecarboximidamide
PubChem CID157010824
Molecular FormulaC19H15FN4
Molecular Weight318.36 g/mol
Exact Mass318.13
IUPAC NameN'-anilino-N-(4-fluorophenyl)iminobenzenecarboximidamide
SMILESFc1ccc(/N=N/C(=NNc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15FN4/c20-16-11-13-18(14-12-16)22-24-19(15-7-3-1-4-8-15)23-21-17-9-5-2-6-10-17/h1-14,21H/b23-19?,24-22+
InChIKeyJAIOOPWASHZMBR-KSQZLRTGSA-N
XLogP5.38
TPSA49.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.36
LogP ≤ 55.38
H-Bond Donors ≤ 51
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': '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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Frequently Asked Questions

What is the IUPAC name of N'-anilino-N-(4-fluorophenyl)iminobenzenecarboximidamide?
The IUPAC name of N'-anilino-N-(4-fluorophenyl)iminobenzenecarboximidamide (CID 157010824) is N'-anilino-N-(4-fluorophenyl)iminobenzenecarboximidamide.
What is the SMILES notation for N'-anilino-N-(4-fluorophenyl)iminobenzenecarboximidamide?
The canonical SMILES for N'-anilino-N-(4-fluorophenyl)iminobenzenecarboximidamide is Fc1ccc(/N=N/C(=NNc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N'-anilino-N-(4-fluorophenyl)iminobenzenecarboximidamide?
The InChIKey is JAIOOPWASHZMBR-KSQZLRTGSA-N. The full InChI is InChI=1S/C19H15FN4/c20-16-11-13-18(14-12-16)22-24-19(15-7-3-1-4-8-15)23-21-17-9-5-2-6-10-17/h1-14,21H/b23-19?,24-22+.
What are the key properties of N'-anilino-N-(4-fluorophenyl)iminobenzenecarboximidamide?
N'-anilino-N-(4-fluorophenyl)iminobenzenecarboximidamide has a molecular weight of 318.36 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-anilino-N-(4-fluorophenyl)iminobenzenecarboximidamide is sourced from PubChem (CID 157010824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).