5-(4-fluorophenyl)-2-(methylideneamino)-N-(pyrazin-2-ylmethyl)benzenecarboximidoyl chloride

C19H14ClFN4 — CID 144500982

IUPAC5-(4-fluorophenyl)-2-(methylideneamino)-N-(pyrazin-2-ylmethyl)benzenecarboximidoyl chloride
SMILESC=Nc1ccc(-c2ccc(F)cc2)cc1/C(Cl)=N/Cc1cnccn1
InChIInChI=1S/C19H14ClFN4/c1-22-18-7-4-14(13-2-5-15(21)6-3-13)10-17(18)19(20)25-12-16-11-23-8-9-24-16/h2-11H,1,12H2/b25-19-
InChIKeyPAFCKVWEBDUFBK-PLRJNAJWSA-N
MW352.80 g/mol
LogP4.80
Rot. Bonds5

About 5-(4-fluorophenyl)-2-(methylideneamino)-N-(pyrazin-2-ylmethyl)benzenecarboximidoyl chloride

5-(4-fluorophenyl)-2-(methylideneamino)-N-(pyrazin-2-ylmethyl)benzenecarboximidoyl chloride (PubChem CID 144500982) has the molecular formula C19H14ClFN4 and a molecular weight of 352.80 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-(methylideneamino)-N-(pyrazin-2-ylmethyl)benzenecarboximidoyl chloride.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-(methylideneamino)-N-(pyrazin-2-ylmethyl)benzenecarboximidoyl chloride
PubChem CID144500982
Molecular FormulaC19H14ClFN4
Molecular Weight352.80 g/mol
Exact Mass352.09
IUPAC Name5-(4-fluorophenyl)-2-(methylideneamino)-N-(pyrazin-2-ylmethyl)benzenecarboximidoyl chloride
SMILESC=Nc1ccc(-c2ccc(F)cc2)cc1/C(Cl)=N/Cc1cnccn1
InChIInChI=1S/C19H14ClFN4/c1-22-18-7-4-14(13-2-5-15(21)6-3-13)10-17(18)19(20)25-12-16-11-23-8-9-24-16/h2-11H,1,12H2/b25-19-
InChIKeyPAFCKVWEBDUFBK-PLRJNAJWSA-N
XLogP4.80
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.80
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-(4-fluorophenyl)-2-(methylideneamino)-N-(pyrazin-2-ylmethyl)benzenecarboximidoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-(methylideneamino)-N-(pyrazin-2-ylmethyl)benzenecarboximidoyl chloride?
The IUPAC name of 5-(4-fluorophenyl)-2-(methylideneamino)-N-(pyrazin-2-ylmethyl)benzenecarboximidoyl chloride (CID 144500982) is 5-(4-fluorophenyl)-2-(methylideneamino)-N-(pyrazin-2-ylmethyl)benzenecarboximidoyl chloride.
What is the SMILES notation for 5-(4-fluorophenyl)-2-(methylideneamino)-N-(pyrazin-2-ylmethyl)benzenecarboximidoyl chloride?
The canonical SMILES for 5-(4-fluorophenyl)-2-(methylideneamino)-N-(pyrazin-2-ylmethyl)benzenecarboximidoyl chloride is C=Nc1ccc(-c2ccc(F)cc2)cc1/C(Cl)=N/Cc1cnccn1.
What is the InChIKey of 5-(4-fluorophenyl)-2-(methylideneamino)-N-(pyrazin-2-ylmethyl)benzenecarboximidoyl chloride?
The InChIKey is PAFCKVWEBDUFBK-PLRJNAJWSA-N. The full InChI is InChI=1S/C19H14ClFN4/c1-22-18-7-4-14(13-2-5-15(21)6-3-13)10-17(18)19(20)25-12-16-11-23-8-9-24-16/h2-11H,1,12H2/b25-19-.
What are the key properties of 5-(4-fluorophenyl)-2-(methylideneamino)-N-(pyrazin-2-ylmethyl)benzenecarboximidoyl chloride?
5-(4-fluorophenyl)-2-(methylideneamino)-N-(pyrazin-2-ylmethyl)benzenecarboximidoyl chloride has a molecular weight of 352.80 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-(methylideneamino)-N-(pyrazin-2-ylmethyl)benzenecarboximidoyl chloride is sourced from PubChem (CID 144500982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).