1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-prop-2-enylphenyl]-N-(4-nitrophenyl)methanimine

C25H23FN2O4 — CID 126074453

IUPAC1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-prop-2-enylphenyl]-N-(4-nitrophenyl)methanimine
SMILESC=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCc1ccc(F)cc1
InChIInChI=1S/C25H23FN2O4/c1-3-5-20-14-19(16-27-22-10-12-23(13-11-22)28(29)30)15-24(31-4-2)25(20)32-17-18-6-8-21(26)9-7-18/h3,6-16H,1,4-5,17H2,2H3/b27-16+
InChIKeyHFKWIBKVSKRNLH-JVWAILMASA-N
MW434.47 g/mol
LogP6.19
Rot. Bonds10

About 1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-prop-2-enylphenyl]-N-(4-nitrophenyl)methanimine

1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-prop-2-enylphenyl]-N-(4-nitrophenyl)methanimine (PubChem CID 126074453) has the molecular formula C25H23FN2O4 and a molecular weight of 434.47 g/mol. Its IUPAC name is 1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-prop-2-enylphenyl]-N-(4-nitrophenyl)methanimine.

Molecular Properties

Compound Name1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-prop-2-enylphenyl]-N-(4-nitrophenyl)methanimine
PubChem CID126074453
Molecular FormulaC25H23FN2O4
Molecular Weight434.47 g/mol
Exact Mass434.16
IUPAC Name1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-prop-2-enylphenyl]-N-(4-nitrophenyl)methanimine
SMILESC=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCc1ccc(F)cc1
InChIInChI=1S/C25H23FN2O4/c1-3-5-20-14-19(16-27-22-10-12-23(13-11-22)28(29)30)15-24(31-4-2)25(20)32-17-18-6-8-21(26)9-7-18/h3,6-16H,1,4-5,17H2,2H3/b27-16+
InChIKeyHFKWIBKVSKRNLH-JVWAILMASA-N
XLogP6.19
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.47
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-prop-2-enylphenyl]-N-(4-nitrophenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-[3-ethoxy-4-[(4-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126253071
2-ethoxy-4-[[4-(4-nitrophenyl)sulfanylphenyl]iminomethyl]-6-prop-2-enylphenol
CID 137118455
N-[(Z)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-prop-2-enylphenyl]methylideneamino]acetamide
CID 126020310
1-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
CID 126205917
(5E)-5-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 126074293
1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-ethoxyphenyl)methanimine
CID 126223346
(5E)-5-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126111153
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126238706
4-[[4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]-2-ethoxy-6-prop-2-enylphenoxy]methyl]benzoic acid
CID 126069956
N-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-nitroaniline
CID 96867531
(NZ)-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]hydroxylamine
CID 126081313
(5E)-5-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 126221079

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-prop-2-enylphenyl]-N-(4-nitrophenyl)methanimine?
The IUPAC name of 1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-prop-2-enylphenyl]-N-(4-nitrophenyl)methanimine (CID 126074453) is 1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-prop-2-enylphenyl]-N-(4-nitrophenyl)methanimine.
What is the SMILES notation for 1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-prop-2-enylphenyl]-N-(4-nitrophenyl)methanimine?
The canonical SMILES for 1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-prop-2-enylphenyl]-N-(4-nitrophenyl)methanimine is C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCc1ccc(F)cc1.
What is the InChIKey of 1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-prop-2-enylphenyl]-N-(4-nitrophenyl)methanimine?
The InChIKey is HFKWIBKVSKRNLH-JVWAILMASA-N. The full InChI is InChI=1S/C25H23FN2O4/c1-3-5-20-14-19(16-27-22-10-12-23(13-11-22)28(29)30)15-24(31-4-2)25(20)32-17-18-6-8-21(26)9-7-18/h3,6-16H,1,4-5,17H2,2H3/b27-16+.
What are the key properties of 1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-prop-2-enylphenyl]-N-(4-nitrophenyl)methanimine?
1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-prop-2-enylphenyl]-N-(4-nitrophenyl)methanimine has a molecular weight of 434.47 g/mol, XLogP of 6.19, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-prop-2-enylphenyl]-N-(4-nitrophenyl)methanimine is sourced from PubChem (CID 126074453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).