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

C15H20FNO3 — CID 110022218

IUPAC(Z)-3-(3-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]but-2-enamide
SMILESC/C(=C/C(=O)NCCCOCCO)c1cccc(F)c1
InChIInChI=1S/C15H20FNO3/c1-12(13-4-2-5-14(16)11-13)10-15(19)17-6-3-8-20-9-7-18/h2,4-5,10-11,18H,3,6-9H2,1H3,(H,17,19)/b12-10-
InChIKeyPYZGXMDCLSDUML-BENRWUELSA-N
MW281.33 g/mol
LogP1.74
Rot. Bonds8

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

(Z)-3-(3-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]but-2-enamide (PubChem CID 110022218) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is (Z)-3-(3-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]but-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]but-2-enamide
PubChem CID110022218
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name(Z)-3-(3-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]but-2-enamide
SMILESC/C(=C/C(=O)NCCCOCCO)c1cccc(F)c1
InChIInChI=1S/C15H20FNO3/c1-12(13-4-2-5-14(16)11-13)10-15(19)17-6-3-8-20-9-7-18/h2,4-5,10-11,18H,3,6-9H2,1H3,(H,17,19)/b12-10-
InChIKeyPYZGXMDCLSDUML-BENRWUELSA-N
XLogP1.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(3-fluorophenyl)-N-[3-[(R)-methylsulfinyl]propyl]but-2-enamide
CID 95621354
3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 60654478
5-fluoro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzamide
CID 113364744
3-(3-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]but-2-enamide
CID 111697749
3-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-2-enamide
CID 111539632
(Z)-3-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]but-2-enamide
CID 111481361
(Z)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(3-fluorophenyl)but-2-enamide
CID 86950457
(E)-N-(3-acetamidopropyl)-3-phenylbut-2-enamide
CID 110309509
3-(3-fluorophenyl)-N-[(4-hydroxythian-4-yl)methyl]but-2-enamide
CID 111484871
3-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide
CID 78785991
(Z)-3-phenyl-N-(3-quinolin-8-yloxypropyl)but-2-enamide
CID 56534634
N-[2-(3-fluorophenyl)ethyl]-3-methylbut-2-enamide
CID 127125179

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]but-2-enamide?
The IUPAC name of (Z)-3-(3-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]but-2-enamide (CID 110022218) is (Z)-3-(3-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]but-2-enamide.
What is the SMILES notation for (Z)-3-(3-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]but-2-enamide?
The canonical SMILES for (Z)-3-(3-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]but-2-enamide is C/C(=C/C(=O)NCCCOCCO)c1cccc(F)c1.
What is the InChIKey of (Z)-3-(3-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]but-2-enamide?
The InChIKey is PYZGXMDCLSDUML-BENRWUELSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-12(13-4-2-5-14(16)11-13)10-15(19)17-6-3-8-20-9-7-18/h2,4-5,10-11,18H,3,6-9H2,1H3,(H,17,19)/b12-10-.
What are the key properties of (Z)-3-(3-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]but-2-enamide?
(Z)-3-(3-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]but-2-enamide has a molecular weight of 281.33 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]but-2-enamide is sourced from PubChem (CID 110022218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).