(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-chlorophenyl)methanimine

C18H18ClFN2 — CID 19368363

IUPAC(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-chlorophenyl)methanimine
SMILESCCCCc1ccc(/C=N/N=C/c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C18H18ClFN2/c1-2-3-4-14-5-8-16(18(20)11-14)13-22-21-12-15-6-9-17(19)10-7-15/h5-13H,2-4H2,1H3/b21-12+,22-13+
InChIKeyAQXLASNEKNHXPQ-ADYPVIEZSA-N
MW316.81 g/mol
LogP5.27
Rot. Bonds6

About (E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-chlorophenyl)methanimine

(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-chlorophenyl)methanimine (PubChem CID 19368363) has the molecular formula C18H18ClFN2 and a molecular weight of 316.81 g/mol. Its IUPAC name is (E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-chlorophenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-chlorophenyl)methanimine
PubChem CID19368363
Molecular FormulaC18H18ClFN2
Molecular Weight316.81 g/mol
Exact Mass316.11
IUPAC Name(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-chlorophenyl)methanimine
SMILESCCCCc1ccc(/C=N/N=C/c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C18H18ClFN2/c1-2-3-4-14-5-8-16(18(20)11-14)13-22-21-12-15-6-9-17(19)10-7-15/h5-13H,2-4H2,1H3/b21-12+,22-13+
InChIKeyAQXLASNEKNHXPQ-ADYPVIEZSA-N
XLogP5.27
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.81
LogP ≤ 55.27
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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Related Compounds

(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 19368295
(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 19368380
N-[(2-fluoro-4-propylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 54528266
(E)-N-[(E)-(2-fluoro-4-propylphenyl)methylideneamino]-1-(4-methoxyphenyl)methanimine
CID 19368935
1-(4-butylphenyl)-N-[(4-fluorophenyl)methylideneamino]methanimine
CID 140983623
1-(4-butylphenyl)-N-[(4-ethyl-3,5-difluorophenyl)methylideneamino]methanimine
CID 54200575
(E)-N-[(E)-(4-ethyl-2-fluorophenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 19368641
(E)-1-(4-butylphenyl)-N-[(E)-(3,5-difluoro-4-methoxyphenyl)methylideneamino]methanimine
CID 19368243
N-[(3,5-difluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 54337056
(E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368301
4-butyl-1-chloro-2-fluorobenzene
CID 20755408
(E)-N-[(E)-(4-ethyl-3-fluorophenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368563

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-chlorophenyl)methanimine?
The IUPAC name of (E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-chlorophenyl)methanimine (CID 19368363) is (E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-chlorophenyl)methanimine.
What is the SMILES notation for (E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-chlorophenyl)methanimine?
The canonical SMILES for (E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-chlorophenyl)methanimine is CCCCc1ccc(/C=N/N=C/c2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of (E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-chlorophenyl)methanimine?
The InChIKey is AQXLASNEKNHXPQ-ADYPVIEZSA-N. The full InChI is InChI=1S/C18H18ClFN2/c1-2-3-4-14-5-8-16(18(20)11-14)13-22-21-12-15-6-9-17(19)10-7-15/h5-13H,2-4H2,1H3/b21-12+,22-13+.
What are the key properties of (E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-chlorophenyl)methanimine?
(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-chlorophenyl)methanimine has a molecular weight of 316.81 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-chlorophenyl)methanimine is sourced from PubChem (CID 19368363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).