N'-(3-chloro-2-fluorophenyl)-N-(2-fluoro-3-methylphenyl)methanimidamide

C14H11ClF2N2 — CID 69478656

IUPACN'-(3-chloro-2-fluorophenyl)-N-(2-fluoro-3-methylphenyl)methanimidamide
SMILESCc1cccc(N/C=N/c2cccc(Cl)c2F)c1F
InChIInChI=1S/C14H11ClF2N2/c1-9-4-2-6-11(13(9)16)18-8-19-12-7-3-5-10(15)14(12)17/h2-8H,1H3,(H,18,19)
InChIKeyDJLHYDPICULMIU-UHFFFAOYSA-N
MW280.71 g/mol
LogP4.70
Rot. Bonds3

About N'-(3-chloro-2-fluorophenyl)-N-(2-fluoro-3-methylphenyl)methanimidamide

N'-(3-chloro-2-fluorophenyl)-N-(2-fluoro-3-methylphenyl)methanimidamide (PubChem CID 69478656) has the molecular formula C14H11ClF2N2 and a molecular weight of 280.71 g/mol. Its IUPAC name is N'-(3-chloro-2-fluorophenyl)-N-(2-fluoro-3-methylphenyl)methanimidamide.

Molecular Properties

Compound NameN'-(3-chloro-2-fluorophenyl)-N-(2-fluoro-3-methylphenyl)methanimidamide
PubChem CID69478656
Molecular FormulaC14H11ClF2N2
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC NameN'-(3-chloro-2-fluorophenyl)-N-(2-fluoro-3-methylphenyl)methanimidamide
SMILESCc1cccc(N/C=N/c2cccc(Cl)c2F)c1F
InChIInChI=1S/C14H11ClF2N2/c1-9-4-2-6-11(13(9)16)18-8-19-12-7-3-5-10(15)14(12)17/h2-8H,1H3,(H,18,19)
InChIKeyDJLHYDPICULMIU-UHFFFAOYSA-N
XLogP4.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-2-fluorophenyl)-N-(2-fluoro-3-methylphenyl)methanimidamide?
The IUPAC name of N'-(3-chloro-2-fluorophenyl)-N-(2-fluoro-3-methylphenyl)methanimidamide (CID 69478656) is N'-(3-chloro-2-fluorophenyl)-N-(2-fluoro-3-methylphenyl)methanimidamide.
What is the SMILES notation for N'-(3-chloro-2-fluorophenyl)-N-(2-fluoro-3-methylphenyl)methanimidamide?
The canonical SMILES for N'-(3-chloro-2-fluorophenyl)-N-(2-fluoro-3-methylphenyl)methanimidamide is Cc1cccc(N/C=N/c2cccc(Cl)c2F)c1F.
What is the InChIKey of N'-(3-chloro-2-fluorophenyl)-N-(2-fluoro-3-methylphenyl)methanimidamide?
The InChIKey is DJLHYDPICULMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2/c1-9-4-2-6-11(13(9)16)18-8-19-12-7-3-5-10(15)14(12)17/h2-8H,1H3,(H,18,19).
What are the key properties of N'-(3-chloro-2-fluorophenyl)-N-(2-fluoro-3-methylphenyl)methanimidamide?
N'-(3-chloro-2-fluorophenyl)-N-(2-fluoro-3-methylphenyl)methanimidamide has a molecular weight of 280.71 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-2-fluorophenyl)-N-(2-fluoro-3-methylphenyl)methanimidamide is sourced from PubChem (CID 69478656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).