(2-fluorophenyl)methyl 4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylbenzoate

C20H23FN2O2 — CID 155324888

IUPAC(2-fluorophenyl)methyl 4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylbenzoate
SMILESCCN(C)/C=N/c1cc(C)c(C(=O)OCc2ccccc2F)cc1C
InChIInChI=1S/C20H23FN2O2/c1-5-23(4)13-22-19-11-14(2)17(10-15(19)3)20(24)25-12-16-8-6-7-9-18(16)21/h6-11,13H,5,12H2,1-4H3/b22-13+
InChIKeyBLPZEYBEEVBBSZ-LPYMAVHISA-N
MW342.41 g/mol
LogP4.41
Rot. Bonds6

About (2-fluorophenyl)methyl 4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylbenzoate

(2-fluorophenyl)methyl 4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylbenzoate (PubChem CID 155324888) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylbenzoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylbenzoate
PubChem CID155324888
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name(2-fluorophenyl)methyl 4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylbenzoate
SMILESCCN(C)/C=N/c1cc(C)c(C(=O)OCc2ccccc2F)cc1C
InChIInChI=1S/C20H23FN2O2/c1-5-23(4)13-22-19-11-14(2)17(10-15(19)3)20(24)25-12-16-8-6-7-9-18(16)21/h6-11,13H,5,12H2,1-4H3/b22-13+
InChIKeyBLPZEYBEEVBBSZ-LPYMAVHISA-N
XLogP4.41
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylbenzoate?
The IUPAC name of (2-fluorophenyl)methyl 4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylbenzoate (CID 155324888) is (2-fluorophenyl)methyl 4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylbenzoate.
What is the SMILES notation for (2-fluorophenyl)methyl 4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylbenzoate?
The canonical SMILES for (2-fluorophenyl)methyl 4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylbenzoate is CCN(C)/C=N/c1cc(C)c(C(=O)OCc2ccccc2F)cc1C.
What is the InChIKey of (2-fluorophenyl)methyl 4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylbenzoate?
The InChIKey is BLPZEYBEEVBBSZ-LPYMAVHISA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-5-23(4)13-22-19-11-14(2)17(10-15(19)3)20(24)25-12-16-8-6-7-9-18(16)21/h6-11,13H,5,12H2,1-4H3/b22-13+.
What are the key properties of (2-fluorophenyl)methyl 4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylbenzoate?
(2-fluorophenyl)methyl 4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylbenzoate has a molecular weight of 342.41 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylbenzoate is sourced from PubChem (CID 155324888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).