(Z)-3-(4-fluorophenyl)-N-[4-(2-hydroxyethoxy)phenyl]but-2-enamide

C18H18FNO3 — CID 111116144

IUPAC(Z)-3-(4-fluorophenyl)-N-[4-(2-hydroxyethoxy)phenyl]but-2-enamide
SMILESC/C(=C/C(=O)Nc1ccc(OCCO)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H18FNO3/c1-13(14-2-4-15(19)5-3-14)12-18(22)20-16-6-8-17(9-7-16)23-11-10-21/h2-9,12,21H,10-11H2,1H3,(H,20,22)/b13-12-
InChIKeyNNIGBEOOOQBLGG-SEYXRHQNSA-N
MW315.34 g/mol
LogP3.24
Rot. Bonds6

About (Z)-3-(4-fluorophenyl)-N-[4-(2-hydroxyethoxy)phenyl]but-2-enamide

(Z)-3-(4-fluorophenyl)-N-[4-(2-hydroxyethoxy)phenyl]but-2-enamide (PubChem CID 111116144) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is (Z)-3-(4-fluorophenyl)-N-[4-(2-hydroxyethoxy)phenyl]but-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-fluorophenyl)-N-[4-(2-hydroxyethoxy)phenyl]but-2-enamide
PubChem CID111116144
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name(Z)-3-(4-fluorophenyl)-N-[4-(2-hydroxyethoxy)phenyl]but-2-enamide
SMILESC/C(=C/C(=O)Nc1ccc(OCCO)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H18FNO3/c1-13(14-2-4-15(19)5-3-14)12-18(22)20-16-6-8-17(9-7-16)23-11-10-21/h2-9,12,21H,10-11H2,1H3,(H,20,22)/b13-12-
InChIKeyNNIGBEOOOQBLGG-SEYXRHQNSA-N
XLogP3.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-dodecoxyphenyl)-3-(4-hydroxyphenyl)but-2-enamide
CID 54488959
4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide
CID 17386974
(E)-3-(4-fluorophenyl)-N-methylbut-2-enamide
CID 144683992
(Z)-4-[4-(2-hydroxyethoxy)anilino]-4-oxobut-2-enoic acid
CID 146213829
(E)-3-(4-fluorophenyl)-N-methylbut-2-enamide;heptane
CID 144683991
3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 4943064
N-(4-fluorophenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791684
4-tert-butyl-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 14698589
1-[4-[3-(4-fluorophenoxy)propylamino]phenyl]ethanone
CID 78820464
3,4,5-trifluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116250
N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 52595243
2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 4732741

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-fluorophenyl)-N-[4-(2-hydroxyethoxy)phenyl]but-2-enamide?
The IUPAC name of (Z)-3-(4-fluorophenyl)-N-[4-(2-hydroxyethoxy)phenyl]but-2-enamide (CID 111116144) is (Z)-3-(4-fluorophenyl)-N-[4-(2-hydroxyethoxy)phenyl]but-2-enamide.
What is the SMILES notation for (Z)-3-(4-fluorophenyl)-N-[4-(2-hydroxyethoxy)phenyl]but-2-enamide?
The canonical SMILES for (Z)-3-(4-fluorophenyl)-N-[4-(2-hydroxyethoxy)phenyl]but-2-enamide is C/C(=C/C(=O)Nc1ccc(OCCO)cc1)c1ccc(F)cc1.
What is the InChIKey of (Z)-3-(4-fluorophenyl)-N-[4-(2-hydroxyethoxy)phenyl]but-2-enamide?
The InChIKey is NNIGBEOOOQBLGG-SEYXRHQNSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-13(14-2-4-15(19)5-3-14)12-18(22)20-16-6-8-17(9-7-16)23-11-10-21/h2-9,12,21H,10-11H2,1H3,(H,20,22)/b13-12-.
What are the key properties of (Z)-3-(4-fluorophenyl)-N-[4-(2-hydroxyethoxy)phenyl]but-2-enamide?
(Z)-3-(4-fluorophenyl)-N-[4-(2-hydroxyethoxy)phenyl]but-2-enamide has a molecular weight of 315.34 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-fluorophenyl)-N-[4-(2-hydroxyethoxy)phenyl]but-2-enamide is sourced from PubChem (CID 111116144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).