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

C21H18ClN3O3 — CID 71621224

IUPAC(E)-3-[2-(3-chlorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide
SMILESCN(c1cccnc1)c1ccc(Oc2cccc(Cl)c2)c(/C=C/C(=O)NO)c1
InChIInChI=1S/C21H18ClN3O3/c1-25(18-5-3-11-23-14-18)17-8-9-20(15(12-17)7-10-21(26)24-27)28-19-6-2-4-16(22)13-19/h2-14,27H,1H3,(H,24,26)/b10-7+
InChIKeyRLDDDSIFWUMLPU-JXMROGBWSA-N
MW395.85 g/mol
LogP4.81
Rot. Bonds6

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

(E)-3-[2-(3-chlorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 71621224) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is (E)-3-[2-(3-chlorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(3-chlorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide
PubChem CID71621224
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Name(E)-3-[2-(3-chlorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide
SMILESCN(c1cccnc1)c1ccc(Oc2cccc(Cl)c2)c(/C=C/C(=O)NO)c1
InChIInChI=1S/C21H18ClN3O3/c1-25(18-5-3-11-23-14-18)17-8-9-20(15(12-17)7-10-21(26)24-27)28-19-6-2-4-16(22)13-19/h2-14,27H,1H3,(H,24,26)/b10-7+
InChIKeyRLDDDSIFWUMLPU-JXMROGBWSA-N
XLogP4.81
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.81
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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Related Compounds

(E)-3-[2-(4-fluorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide
CID 71621223
(E)-3-[2-(3-chlorophenoxy)-5-[methyl(pyridin-2-yl)amino]phenyl]-N-hydroxyprop-2-enamide
CID 71621225
(E)-3-[2-(3,4-dichlorophenoxy)-5-(2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide
CID 159803289
N-hydroxy-3-(2-pyridin-3-yloxyphenyl)prop-2-enamide
CID 123230894
(E)-3-[2-(3-fluorophenoxy)-5-(2-oxo-2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide
CID 158940868
N-hydroxy-3-[2-(3-methoxyphenoxy)phenyl]prop-2-enamide
CID 78137677
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
N-hydroxy-3-(2-pyridin-4-yloxyphenyl)prop-2-enamide
CID 78137722
(Z)-3-[2-(3-chlorophenoxy)phenyl]prop-2-enamide
CID 170876770
(E)-3-[4-(dimethylamino)phenyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)prop-2-enamide
CID 166194257
2-(3-chlorophenoxy)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 130330750

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(3-chlorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-(3-chlorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide (CID 71621224) is (E)-3-[2-(3-chlorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-(3-chlorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-(3-chlorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide is CN(c1cccnc1)c1ccc(Oc2cccc(Cl)c2)c(/C=C/C(=O)NO)c1.
What is the InChIKey of (E)-3-[2-(3-chlorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is RLDDDSIFWUMLPU-JXMROGBWSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-25(18-5-3-11-23-14-18)17-8-9-20(15(12-17)7-10-21(26)24-27)28-19-6-2-4-16(22)13-19/h2-14,27H,1H3,(H,24,26)/b10-7+.
What are the key properties of (E)-3-[2-(3-chlorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[2-(3-chlorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 395.85 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(3-chlorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 71621224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).