(E)-3-[2-(4-fluorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide

C21H18FN3O3 — CID 71621223

IUPAC(E)-3-[2-(4-fluorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide
SMILESCN(c1cccnc1)c1ccc(Oc2ccc(F)cc2)c(/C=C/C(=O)NO)c1
InChIInChI=1S/C21H18FN3O3/c1-25(18-3-2-12-23-14-18)17-7-10-20(15(13-17)4-11-21(26)24-27)28-19-8-5-16(22)6-9-19/h2-14,27H,1H3,(H,24,26)/b11-4+
InChIKeyLCZQQWGWEIAWRM-NYYWCZLTSA-N
MW379.39 g/mol
LogP4.30
Rot. Bonds6

About (E)-3-[2-(4-fluorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[2-(4-fluorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 71621223) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is (E)-3-[2-(4-fluorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(4-fluorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide
PubChem CID71621223
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC Name(E)-3-[2-(4-fluorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide
SMILESCN(c1cccnc1)c1ccc(Oc2ccc(F)cc2)c(/C=C/C(=O)NO)c1
InChIInChI=1S/C21H18FN3O3/c1-25(18-3-2-12-23-14-18)17-7-10-20(15(13-17)4-11-21(26)24-27)28-19-8-5-16(22)6-9-19/h2-14,27H,1H3,(H,24,26)/b11-4+
InChIKeyLCZQQWGWEIAWRM-NYYWCZLTSA-N
XLogP4.30
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(4-fluorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-(4-fluorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide (CID 71621223) is (E)-3-[2-(4-fluorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-(4-fluorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-(4-fluorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide is CN(c1cccnc1)c1ccc(Oc2ccc(F)cc2)c(/C=C/C(=O)NO)c1.
What is the InChIKey of (E)-3-[2-(4-fluorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is LCZQQWGWEIAWRM-NYYWCZLTSA-N. The full InChI is InChI=1S/C21H18FN3O3/c1-25(18-3-2-12-23-14-18)17-7-10-20(15(13-17)4-11-21(26)24-27)28-19-8-5-16(22)6-9-19/h2-14,27H,1H3,(H,24,26)/b11-4+.
What are the key properties of (E)-3-[2-(4-fluorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[2-(4-fluorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 379.39 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(4-fluorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 71621223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).