(E)-3-[2-(3,4-dichlorophenoxy)-5-(2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide

C22H18Cl2N2O3 — CID 159803289

IUPAC(E)-3-[2-(3,4-dichlorophenoxy)-5-(2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1cc(CCc2cccnc2)ccc1Oc1ccc(Cl)c(Cl)c1)NO
InChIInChI=1S/C22H18Cl2N2O3/c23-19-8-7-18(13-20(19)24)29-21-9-5-15(3-4-16-2-1-11-25-14-16)12-17(21)6-10-22(27)26-28/h1-2,5-14,28H,3-4H2,(H,26,27)/b10-6+
InChIKeyNKBJDYIIACAGGA-UXBLZVDNSA-N
MW429.30 g/mol
LogP5.48
Rot. Bonds7

About (E)-3-[2-(3,4-dichlorophenoxy)-5-(2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide

(E)-3-[2-(3,4-dichlorophenoxy)-5-(2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide (PubChem CID 159803289) has the molecular formula C22H18Cl2N2O3 and a molecular weight of 429.30 g/mol. Its IUPAC name is (E)-3-[2-(3,4-dichlorophenoxy)-5-(2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(3,4-dichlorophenoxy)-5-(2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide
PubChem CID159803289
Molecular FormulaC22H18Cl2N2O3
Molecular Weight429.30 g/mol
Exact Mass428.07
IUPAC Name(E)-3-[2-(3,4-dichlorophenoxy)-5-(2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1cc(CCc2cccnc2)ccc1Oc1ccc(Cl)c(Cl)c1)NO
InChIInChI=1S/C22H18Cl2N2O3/c23-19-8-7-18(13-20(19)24)29-21-9-5-15(3-4-16-2-1-11-25-14-16)12-17(21)6-10-22(27)26-28/h1-2,5-14,28H,3-4H2,(H,26,27)/b10-6+
InChIKeyNKBJDYIIACAGGA-UXBLZVDNSA-N
XLogP5.48
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.30
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

3-[2-(3,4-dichlorophenoxy)phenyl]-N-hydroxyprop-2-enamide
CID 78137725
3-[2-(4-fluorophenoxy)-5-(pyridin-3-ylmethylamino)phenyl]-N-hydroxyprop-2-enamide
CID 123669746
(E)-3-[2-(3-fluorophenoxy)-5-(2-oxo-2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide
CID 158940868
N-hydroxy-3-(2-pyridin-3-yloxyphenyl)prop-2-enamide
CID 123230894
(E)-3-[2-(3-chlorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide
CID 71621224
(E)-3-[2-(4-fluorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide
CID 71621223
(E)-N-hydroxy-3-[2-oxo-1-(3-pyridin-3-ylpropyl)-3-pyridinyl]prop-2-enamide
CID 89001938
N-hydroxy-3-(2-pyridin-4-yloxyphenyl)prop-2-enamide
CID 78137722
(E)-3-[1-[2-(3,4-dichlorophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 89001819
1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one
CID 55096177
N-hydroxy-3-[2-(3-methoxyphenoxy)phenyl]prop-2-enamide
CID 78137677
(E)-3-(4-acetamidophenyl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]prop-2-enamide
CID 47740224

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(3,4-dichlorophenoxy)-5-(2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-(3,4-dichlorophenoxy)-5-(2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide (CID 159803289) is (E)-3-[2-(3,4-dichlorophenoxy)-5-(2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-(3,4-dichlorophenoxy)-5-(2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-(3,4-dichlorophenoxy)-5-(2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1cc(CCc2cccnc2)ccc1Oc1ccc(Cl)c(Cl)c1)NO.
What is the InChIKey of (E)-3-[2-(3,4-dichlorophenoxy)-5-(2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is NKBJDYIIACAGGA-UXBLZVDNSA-N. The full InChI is InChI=1S/C22H18Cl2N2O3/c23-19-8-7-18(13-20(19)24)29-21-9-5-15(3-4-16-2-1-11-25-14-16)12-17(21)6-10-22(27)26-28/h1-2,5-14,28H,3-4H2,(H,26,27)/b10-6+.
What are the key properties of (E)-3-[2-(3,4-dichlorophenoxy)-5-(2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[2-(3,4-dichlorophenoxy)-5-(2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 429.30 g/mol, XLogP of 5.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(3,4-dichlorophenoxy)-5-(2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 159803289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).