(E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-pentylphenyl)methanimine

C20H20F4N2O — CID 19368311

IUPAC(E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-pentylphenyl)methanimine
SMILESCCCCCc1ccc(/C=N/N=C/c2cc(F)c(OC(F)F)c(F)c2)cc1
InChIInChI=1S/C20H20F4N2O/c1-2-3-4-5-14-6-8-15(9-7-14)12-25-26-13-16-10-17(21)19(18(22)11-16)27-20(23)24/h6-13,20H,2-5H2,1H3/b25-12+,26-13+
InChIKeyCIVKKRQFZXPVBC-AAGZUKFUSA-N
MW380.39 g/mol
LogP5.75
Rot. Bonds9

About (E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-pentylphenyl)methanimine

(E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-pentylphenyl)methanimine (PubChem CID 19368311) has the molecular formula C20H20F4N2O and a molecular weight of 380.39 g/mol. Its IUPAC name is (E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-pentylphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-pentylphenyl)methanimine
PubChem CID19368311
Molecular FormulaC20H20F4N2O
Molecular Weight380.39 g/mol
Exact Mass380.15
IUPAC Name(E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-pentylphenyl)methanimine
SMILESCCCCCc1ccc(/C=N/N=C/c2cc(F)c(OC(F)F)c(F)c2)cc1
InChIInChI=1S/C20H20F4N2O/c1-2-3-4-5-14-6-8-15(9-7-14)12-25-26-13-16-10-17(21)19(18(22)11-16)27-20(23)24/h6-13,20H,2-5H2,1H3/b25-12+,26-13+
InChIKeyCIVKKRQFZXPVBC-AAGZUKFUSA-N
XLogP5.75
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.39
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(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
1-(4-butylphenyl)-N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]methanimine;N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine
CID 173276638
(E)-1-(4-butylphenyl)-N-[(E)-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]methanimine
CID 19368700
(E)-N-[(E)-(4-ethyl-3-fluorophenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368563
(E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine
CID 19368279
1-(4-butylphenyl)-N-[(4-ethyl-3,5-difluorophenyl)methylideneamino]methanimine
CID 54200575
1-(4-butylphenyl)-N-[(4-fluorophenyl)methylideneamino]methanimine
CID 140983623
N-[[4-(difluoromethoxy)-3-fluorophenyl]methylideneamino]-1-(4-ethylphenyl)methanimine
CID 54572346
(E)-N-[(E)-(4-hexylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 20845118
(E)-1-(4-butylphenyl)-N-[(E)-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]methanimine
CID 19368957

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-pentylphenyl)methanimine?
The IUPAC name of (E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-pentylphenyl)methanimine (CID 19368311) is (E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-pentylphenyl)methanimine.
What is the SMILES notation for (E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-pentylphenyl)methanimine?
The canonical SMILES for (E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-pentylphenyl)methanimine is CCCCCc1ccc(/C=N/N=C/c2cc(F)c(OC(F)F)c(F)c2)cc1.
What is the InChIKey of (E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-pentylphenyl)methanimine?
The InChIKey is CIVKKRQFZXPVBC-AAGZUKFUSA-N. The full InChI is InChI=1S/C20H20F4N2O/c1-2-3-4-5-14-6-8-15(9-7-14)12-25-26-13-16-10-17(21)19(18(22)11-16)27-20(23)24/h6-13,20H,2-5H2,1H3/b25-12+,26-13+.
What are the key properties of (E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-pentylphenyl)methanimine?
(E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-pentylphenyl)methanimine has a molecular weight of 380.39 g/mol, XLogP of 5.75, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-pentylphenyl)methanimine is sourced from PubChem (CID 19368311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).