1-(4-chlorophenyl)-N-[4-[[4-[(4-chlorophenyl)methylideneamino]-3-fluorophenyl]methyl]-2-fluorophenyl]methanimine

C27H18Cl2F2N2 — CID 177256723

IUPAC1-(4-chlorophenyl)-N-[4-[[4-[(4-chlorophenyl)methylideneamino]-3-fluorophenyl]methyl]-2-fluorophenyl]methanimine
SMILESFc1cc(Cc2ccc(/N=C/c3ccc(Cl)cc3)c(F)c2)ccc1/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C27H18Cl2F2N2/c28-22-7-1-18(2-8-22)16-32-26-11-5-20(14-24(26)30)13-21-6-12-27(25(31)15-21)33-17-19-3-9-23(29)10-4-19/h1-12,14-17H,13H2/b32-16+,33-17+
InChIKeyLWPSDOZROHTNFO-CBLSGYJOSA-N
MW479.36 g/mol
LogP8.36
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[4-[[4-[(4-chlorophenyl)methylideneamino]-3-fluorophenyl]methyl]-2-fluorophenyl]methanimine

1-(4-chlorophenyl)-N-[4-[[4-[(4-chlorophenyl)methylideneamino]-3-fluorophenyl]methyl]-2-fluorophenyl]methanimine (PubChem CID 177256723) has the molecular formula C27H18Cl2F2N2 and a molecular weight of 479.36 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-[[4-[(4-chlorophenyl)methylideneamino]-3-fluorophenyl]methyl]-2-fluorophenyl]methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-[[4-[(4-chlorophenyl)methylideneamino]-3-fluorophenyl]methyl]-2-fluorophenyl]methanimine
PubChem CID177256723
Molecular FormulaC27H18Cl2F2N2
Molecular Weight479.36 g/mol
Exact Mass478.08
IUPAC Name1-(4-chlorophenyl)-N-[4-[[4-[(4-chlorophenyl)methylideneamino]-3-fluorophenyl]methyl]-2-fluorophenyl]methanimine
SMILESFc1cc(Cc2ccc(/N=C/c3ccc(Cl)cc3)c(F)c2)ccc1/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C27H18Cl2F2N2/c28-22-7-1-18(2-8-22)16-32-26-11-5-20(14-24(26)30)13-21-6-12-27(25(31)15-21)33-17-19-3-9-23(29)10-4-19/h1-12,14-17H,13H2/b32-16+,33-17+
InChIKeyLWPSDOZROHTNFO-CBLSGYJOSA-N
XLogP8.36
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.36
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-chlorophenyl)-N-[4-[[4-[(4-chlorophenyl)methylideneamino]-3-fluorophenyl]methyl]-2-fluorophenyl]methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-[[4-[(4-chlorophenyl)methylideneamino]-3-fluorophenyl]methyl]-2-fluorophenyl]methanimine (CID 177256723) is 1-(4-chlorophenyl)-N-[4-[[4-[(4-chlorophenyl)methylideneamino]-3-fluorophenyl]methyl]-2-fluorophenyl]methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-[[4-[(4-chlorophenyl)methylideneamino]-3-fluorophenyl]methyl]-2-fluorophenyl]methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-[[4-[(4-chlorophenyl)methylideneamino]-3-fluorophenyl]methyl]-2-fluorophenyl]methanimine is Fc1cc(Cc2ccc(/N=C/c3ccc(Cl)cc3)c(F)c2)ccc1/N=C/c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-[[4-[(4-chlorophenyl)methylideneamino]-3-fluorophenyl]methyl]-2-fluorophenyl]methanimine?
The InChIKey is LWPSDOZROHTNFO-CBLSGYJOSA-N. The full InChI is InChI=1S/C27H18Cl2F2N2/c28-22-7-1-18(2-8-22)16-32-26-11-5-20(14-24(26)30)13-21-6-12-27(25(31)15-21)33-17-19-3-9-23(29)10-4-19/h1-12,14-17H,13H2/b32-16+,33-17+.
What are the key properties of 1-(4-chlorophenyl)-N-[4-[[4-[(4-chlorophenyl)methylideneamino]-3-fluorophenyl]methyl]-2-fluorophenyl]methanimine?
1-(4-chlorophenyl)-N-[4-[[4-[(4-chlorophenyl)methylideneamino]-3-fluorophenyl]methyl]-2-fluorophenyl]methanimine has a molecular weight of 479.36 g/mol, XLogP of 8.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-[[4-[(4-chlorophenyl)methylideneamino]-3-fluorophenyl]methyl]-2-fluorophenyl]methanimine is sourced from PubChem (CID 177256723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).