(E)-3-(4-fluorophenyl)-N-(4-pyrimidin-2-yloxyphenyl)prop-2-enamide

C19H14FN3O2 — CID 47051327

IUPAC(E)-3-(4-fluorophenyl)-N-(4-pyrimidin-2-yloxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)Nc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C19H14FN3O2/c20-15-5-2-14(3-6-15)4-11-18(24)23-16-7-9-17(10-8-16)25-19-21-12-1-13-22-19/h1-13H,(H,23,24)/b11-4+
InChIKeyVEGOGVCWFDQYBG-NYYWCZLTSA-N
MW335.34 g/mol
LogP4.06
Rot. Bonds5

About (E)-3-(4-fluorophenyl)-N-(4-pyrimidin-2-yloxyphenyl)prop-2-enamide

(E)-3-(4-fluorophenyl)-N-(4-pyrimidin-2-yloxyphenyl)prop-2-enamide (PubChem CID 47051327) has the molecular formula C19H14FN3O2 and a molecular weight of 335.34 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-(4-pyrimidin-2-yloxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-(4-pyrimidin-2-yloxyphenyl)prop-2-enamide
PubChem CID47051327
Molecular FormulaC19H14FN3O2
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC Name(E)-3-(4-fluorophenyl)-N-(4-pyrimidin-2-yloxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)Nc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C19H14FN3O2/c20-15-5-2-14(3-6-15)4-11-18(24)23-16-7-9-17(10-8-16)25-19-21-12-1-13-22-19/h1-13H,(H,23,24)/b11-4+
InChIKeyVEGOGVCWFDQYBG-NYYWCZLTSA-N
XLogP4.06
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)prop-2-enamide
CID 78905878
3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 4943064
N-(4-fluorophenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791684
(Z)-N-(4-pyrimidin-2-yloxyphenyl)-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 97462495
(E)-N-[2-(4-fluoroanilino)-3-pyridinyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 155816048
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-(4-nitrophenyl)prop-2-enamide
CID 55713791
(E)-N-(6-bromo-3-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide
CID 103789430
4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 7729326
(E)-3-(4-methylphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 898659
3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 892966
(E)-N-(4-fluorophenyl)-3-quinolin-8-ylprop-2-enamide
CID 24616881
1-[3-(4-fluorophenoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea
CID 86870027

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-(4-pyrimidin-2-yloxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-(4-pyrimidin-2-yloxyphenyl)prop-2-enamide (CID 47051327) is (E)-3-(4-fluorophenyl)-N-(4-pyrimidin-2-yloxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-(4-pyrimidin-2-yloxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-(4-pyrimidin-2-yloxyphenyl)prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)Nc1ccc(Oc2ncccn2)cc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-(4-pyrimidin-2-yloxyphenyl)prop-2-enamide?
The InChIKey is VEGOGVCWFDQYBG-NYYWCZLTSA-N. The full InChI is InChI=1S/C19H14FN3O2/c20-15-5-2-14(3-6-15)4-11-18(24)23-16-7-9-17(10-8-16)25-19-21-12-1-13-22-19/h1-13H,(H,23,24)/b11-4+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-(4-pyrimidin-2-yloxyphenyl)prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-(4-pyrimidin-2-yloxyphenyl)prop-2-enamide has a molecular weight of 335.34 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-(4-pyrimidin-2-yloxyphenyl)prop-2-enamide is sourced from PubChem (CID 47051327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).