1-N-[(4-chlorophenyl)methylidene]-3-N-[1-[4-(trifluoromethyl)phenyl]ethylidene]propane-1,2,3-triimine;hydrochloride

C19H18Cl2F3N3 — CID 158782908

IUPAC1-N-[(4-chlorophenyl)methylidene]-3-N-[1-[4-(trifluoromethyl)phenyl]ethylidene]propane-1,2,3-triimine;hydrochloride
SMILESCl.[H]/N=C(\C/N=C/c1ccc(Cl)cc1)C/N=C(\C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17ClF3N3.ClH/c1-13(15-4-6-16(7-5-15)19(21,22)23)26-12-18(24)11-25-10-14-2-8-17(20)9-3-14;/h2-10,24H,11-12H2,1H3;1H/b24-18+,25-10+,26-13+;
InChIKeyXQAIKZJZXQEUCR-TYJVFPFRSA-N
MW416.27 g/mol
LogP5.73
Rot. Bonds6

About 1-N-[(4-chlorophenyl)methylidene]-3-N-[1-[4-(trifluoromethyl)phenyl]ethylidene]propane-1,2,3-triimine;hydrochloride

1-N-[(4-chlorophenyl)methylidene]-3-N-[1-[4-(trifluoromethyl)phenyl]ethylidene]propane-1,2,3-triimine;hydrochloride (PubChem CID 158782908) has the molecular formula C19H18Cl2F3N3 and a molecular weight of 416.27 g/mol. Its IUPAC name is 1-N-[(4-chlorophenyl)methylidene]-3-N-[1-[4-(trifluoromethyl)phenyl]ethylidene]propane-1,2,3-triimine;hydrochloride.

Molecular Properties

Compound Name1-N-[(4-chlorophenyl)methylidene]-3-N-[1-[4-(trifluoromethyl)phenyl]ethylidene]propane-1,2,3-triimine;hydrochloride
PubChem CID158782908
Molecular FormulaC19H18Cl2F3N3
Molecular Weight416.27 g/mol
Exact Mass415.08
IUPAC Name1-N-[(4-chlorophenyl)methylidene]-3-N-[1-[4-(trifluoromethyl)phenyl]ethylidene]propane-1,2,3-triimine;hydrochloride
SMILESCl.[H]/N=C(\C/N=C/c1ccc(Cl)cc1)C/N=C(\C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17ClF3N3.ClH/c1-13(15-4-6-16(7-5-15)19(21,22)23)26-12-18(24)11-25-10-14-2-8-17(20)9-3-14;/h2-10,24H,11-12H2,1H3;1H/b24-18+,25-10+,26-13+;
InChIKeyXQAIKZJZXQEUCR-TYJVFPFRSA-N
XLogP5.73
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.27
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-chlorophenyl)methylidene]-3-N-[1-[4-(trifluoromethyl)phenyl]ethylidene]propane-1,2,3-triimine;hydrochloride?
The IUPAC name of 1-N-[(4-chlorophenyl)methylidene]-3-N-[1-[4-(trifluoromethyl)phenyl]ethylidene]propane-1,2,3-triimine;hydrochloride (CID 158782908) is 1-N-[(4-chlorophenyl)methylidene]-3-N-[1-[4-(trifluoromethyl)phenyl]ethylidene]propane-1,2,3-triimine;hydrochloride.
What is the SMILES notation for 1-N-[(4-chlorophenyl)methylidene]-3-N-[1-[4-(trifluoromethyl)phenyl]ethylidene]propane-1,2,3-triimine;hydrochloride?
The canonical SMILES for 1-N-[(4-chlorophenyl)methylidene]-3-N-[1-[4-(trifluoromethyl)phenyl]ethylidene]propane-1,2,3-triimine;hydrochloride is Cl.[H]/N=C(\C/N=C/c1ccc(Cl)cc1)C/N=C(\C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-N-[(4-chlorophenyl)methylidene]-3-N-[1-[4-(trifluoromethyl)phenyl]ethylidene]propane-1,2,3-triimine;hydrochloride?
The InChIKey is XQAIKZJZXQEUCR-TYJVFPFRSA-N. The full InChI is InChI=1S/C19H17ClF3N3.ClH/c1-13(15-4-6-16(7-5-15)19(21,22)23)26-12-18(24)11-25-10-14-2-8-17(20)9-3-14;/h2-10,24H,11-12H2,1H3;1H/b24-18+,25-10+,26-13+;.
What are the key properties of 1-N-[(4-chlorophenyl)methylidene]-3-N-[1-[4-(trifluoromethyl)phenyl]ethylidene]propane-1,2,3-triimine;hydrochloride?
1-N-[(4-chlorophenyl)methylidene]-3-N-[1-[4-(trifluoromethyl)phenyl]ethylidene]propane-1,2,3-triimine;hydrochloride has a molecular weight of 416.27 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-chlorophenyl)methylidene]-3-N-[1-[4-(trifluoromethyl)phenyl]ethylidene]propane-1,2,3-triimine;hydrochloride is sourced from PubChem (CID 158782908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).