3-[2-(4-fluorophenoxy)-5-(pyridin-3-ylmethylamino)phenyl]-N-hydroxyprop-2-enamide

C21H18FN3O3 — CID 123669746

IUPAC3-[2-(4-fluorophenoxy)-5-(pyridin-3-ylmethylamino)phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1cc(NCc2cccnc2)ccc1Oc1ccc(F)cc1)NO
InChIInChI=1S/C21H18FN3O3/c22-17-4-7-19(8-5-17)28-20-9-6-18(12-16(20)3-10-21(26)25-27)24-14-15-2-1-11-23-13-15/h1-13,24,27H,14H2,(H,25,26)
InChIKeyBODKSEFVPHKXRG-UHFFFAOYSA-N
MW379.39 g/mol
LogP4.14
Rot. Bonds7

About 3-[2-(4-fluorophenoxy)-5-(pyridin-3-ylmethylamino)phenyl]-N-hydroxyprop-2-enamide

3-[2-(4-fluorophenoxy)-5-(pyridin-3-ylmethylamino)phenyl]-N-hydroxyprop-2-enamide (PubChem CID 123669746) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is 3-[2-(4-fluorophenoxy)-5-(pyridin-3-ylmethylamino)phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenoxy)-5-(pyridin-3-ylmethylamino)phenyl]-N-hydroxyprop-2-enamide
PubChem CID123669746
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC Name3-[2-(4-fluorophenoxy)-5-(pyridin-3-ylmethylamino)phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1cc(NCc2cccnc2)ccc1Oc1ccc(F)cc1)NO
InChIInChI=1S/C21H18FN3O3/c22-17-4-7-19(8-5-17)28-20-9-6-18(12-16(20)3-10-21(26)25-27)24-14-15-2-1-11-23-13-15/h1-13,24,27H,14H2,(H,25,26)
InChIKeyBODKSEFVPHKXRG-UHFFFAOYSA-N
XLogP4.14
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 54.14
H-Bond Donors ≤ 53
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-(3,4-dichlorophenoxy)-5-(2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide
CID 159803289
(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
3-fluoro-4-[4-(pyridin-3-ylmethylamino)phenoxy]aniline
CID 22663893
(E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 790889
3-(2-fluorophenoxy)-N-(pyridin-3-ylmethyl)aniline
CID 22663586
N-hydroxy-3-(2-pyridin-4-yloxyphenyl)prop-2-enamide
CID 78137722
N-(4-fluorophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213164
N-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191420
(E)-3-[2-(3-chlorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide
CID 71621224
N-[(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethylamino)benzamide
CID 51086157

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenoxy)-5-(pyridin-3-ylmethylamino)phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of 3-[2-(4-fluorophenoxy)-5-(pyridin-3-ylmethylamino)phenyl]-N-hydroxyprop-2-enamide (CID 123669746) is 3-[2-(4-fluorophenoxy)-5-(pyridin-3-ylmethylamino)phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-[2-(4-fluorophenoxy)-5-(pyridin-3-ylmethylamino)phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-[2-(4-fluorophenoxy)-5-(pyridin-3-ylmethylamino)phenyl]-N-hydroxyprop-2-enamide is O=C(C=Cc1cc(NCc2cccnc2)ccc1Oc1ccc(F)cc1)NO.
What is the InChIKey of 3-[2-(4-fluorophenoxy)-5-(pyridin-3-ylmethylamino)phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is BODKSEFVPHKXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3/c22-17-4-7-19(8-5-17)28-20-9-6-18(12-16(20)3-10-21(26)25-27)24-14-15-2-1-11-23-13-15/h1-13,24,27H,14H2,(H,25,26).
What are the key properties of 3-[2-(4-fluorophenoxy)-5-(pyridin-3-ylmethylamino)phenyl]-N-hydroxyprop-2-enamide?
3-[2-(4-fluorophenoxy)-5-(pyridin-3-ylmethylamino)phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 379.39 g/mol, XLogP of 4.14, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenoxy)-5-(pyridin-3-ylmethylamino)phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 123669746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).