N-[(2-chloro-6-fluorophenyl)methylideneamino]-1,1-diphenylmethanimine

C20H14ClFN2 — CID 2259065

IUPACN-[(2-chloro-6-fluorophenyl)methylideneamino]-1,1-diphenylmethanimine
SMILESFc1cccc(Cl)c1C=NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H14ClFN2/c21-18-12-7-13-19(22)17(18)14-23-24-20(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14H
InChIKeyGORCIUOLLOYJKB-UHFFFAOYSA-N
MW336.80 g/mol
LogP5.35
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methylideneamino]-1,1-diphenylmethanimine

N-[(2-chloro-6-fluorophenyl)methylideneamino]-1,1-diphenylmethanimine (PubChem CID 2259065) has the molecular formula C20H14ClFN2 and a molecular weight of 336.80 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methylideneamino]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methylideneamino]-1,1-diphenylmethanimine
PubChem CID2259065
Molecular FormulaC20H14ClFN2
Molecular Weight336.80 g/mol
Exact Mass336.08
IUPAC NameN-[(2-chloro-6-fluorophenyl)methylideneamino]-1,1-diphenylmethanimine
SMILESFc1cccc(Cl)c1C=NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H14ClFN2/c21-18-12-7-13-19(22)17(18)14-23-24-20(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14H
InChIKeyGORCIUOLLOYJKB-UHFFFAOYSA-N
XLogP5.35
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.80
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(2-chloro-6-fluorophenyl)methylideneamino]-1,1-diphenylmethanimine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methylideneamino]-1,1-diphenylmethanimine (CID 2259065) is N-[(2-chloro-6-fluorophenyl)methylideneamino]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methylideneamino]-1,1-diphenylmethanimine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methylideneamino]-1,1-diphenylmethanimine is Fc1cccc(Cl)c1C=NN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methylideneamino]-1,1-diphenylmethanimine?
The InChIKey is GORCIUOLLOYJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN2/c21-18-12-7-13-19(22)17(18)14-23-24-20(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14H.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methylideneamino]-1,1-diphenylmethanimine?
N-[(2-chloro-6-fluorophenyl)methylideneamino]-1,1-diphenylmethanimine has a molecular weight of 336.80 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methylideneamino]-1,1-diphenylmethanimine is sourced from PubChem (CID 2259065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).