1-(4-chlorophenyl)-2-(4-fluorophenyl)-N-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diimine

C24H22ClFN2 — CID 102107299

IUPAC1-(4-chlorophenyl)-2-(4-fluorophenyl)-N-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diimine
SMILESCc1ccc(/N=C(C(=N/C(C)C)/c2ccc(F)cc2)\c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H22ClFN2/c1-16(2)27-23(19-8-12-21(26)13-9-19)24(18-6-10-20(25)11-7-18)28-22-14-4-17(3)5-15-22/h4-16H,1-3H3/b27-23+,28-24+
InChIKeyQHFBRDUFAKCPAK-LMCGJEQXSA-N
MW392.91 g/mol
LogP6.81
Rot. Bonds5

About 1-(4-chlorophenyl)-2-(4-fluorophenyl)-N-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diimine

1-(4-chlorophenyl)-2-(4-fluorophenyl)-N-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diimine (PubChem CID 102107299) has the molecular formula C24H22ClFN2 and a molecular weight of 392.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(4-fluorophenyl)-N-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(4-fluorophenyl)-N-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diimine
PubChem CID102107299
Molecular FormulaC24H22ClFN2
Molecular Weight392.91 g/mol
Exact Mass392.15
IUPAC Name1-(4-chlorophenyl)-2-(4-fluorophenyl)-N-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diimine
SMILESCc1ccc(/N=C(C(=N/C(C)C)/c2ccc(F)cc2)\c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H22ClFN2/c1-16(2)27-23(19-8-12-21(26)13-9-19)24(18-6-10-20(25)11-7-18)28-22-14-4-17(3)5-15-22/h4-16H,1-3H3/b27-23+,28-24+
InChIKeyQHFBRDUFAKCPAK-LMCGJEQXSA-N
XLogP6.81
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.91
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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N,N'-bis[3,5-bis(trifluoromethyl)phenyl]-1-(4-chlorophenyl)propane-1,3-diimine
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N-(4-fluorophenyl)-4-chlorobenzylideneamine
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(4-Chlorobenzylidene)(2-fluorophenyl)amine
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(4-fluorophenyl)-N-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diimine?
The IUPAC name of 1-(4-chlorophenyl)-2-(4-fluorophenyl)-N-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diimine (CID 102107299) is 1-(4-chlorophenyl)-2-(4-fluorophenyl)-N-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diimine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(4-fluorophenyl)-N-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diimine?
The canonical SMILES for 1-(4-chlorophenyl)-2-(4-fluorophenyl)-N-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diimine is Cc1ccc(/N=C(C(=N/C(C)C)/c2ccc(F)cc2)\c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(4-fluorophenyl)-N-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diimine?
The InChIKey is QHFBRDUFAKCPAK-LMCGJEQXSA-N. The full InChI is InChI=1S/C24H22ClFN2/c1-16(2)27-23(19-8-12-21(26)13-9-19)24(18-6-10-20(25)11-7-18)28-22-14-4-17(3)5-15-22/h4-16H,1-3H3/b27-23+,28-24+.
What are the key properties of 1-(4-chlorophenyl)-2-(4-fluorophenyl)-N-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diimine?
1-(4-chlorophenyl)-2-(4-fluorophenyl)-N-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diimine has a molecular weight of 392.91 g/mol, XLogP of 6.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(4-fluorophenyl)-N-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diimine is sourced from PubChem (CID 102107299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).