N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-phenylbut-2-enamide

C18H18FNO2 — CID 110912770

IUPACN-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-phenylbut-2-enamide
SMILESCC(=CC(=O)NCC(O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H18FNO2/c1-13(14-5-3-2-4-6-14)11-18(22)20-12-17(21)15-7-9-16(19)10-8-15/h2-11,17,21H,12H2,1H3,(H,20,22)
InChIKeyLCXIYSRWZJKFPZ-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.08
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-phenylbut-2-enamide

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-phenylbut-2-enamide (PubChem CID 110912770) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-phenylbut-2-enamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-phenylbut-2-enamide
PubChem CID110912770
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-phenylbut-2-enamide
SMILESCC(=CC(=O)NCC(O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H18FNO2/c1-13(14-5-3-2-4-6-14)11-18(22)20-12-17(21)15-7-9-16(19)10-8-15/h2-11,17,21H,12H2,1H3,(H,20,22)
InChIKeyLCXIYSRWZJKFPZ-UHFFFAOYSA-N
XLogP3.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-4-oxobutan-2-yl]benzamide
CID 110888740
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea
CID 110893367
(E)-N-[(2-fluorophenyl)methyl]-3-phenylbut-2-enamide
CID 110297035
(E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)but-2-enamide
CID 111912079
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide
CID 124506824
N-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide
CID 110888909
(E)-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(3-methoxyphenyl)but-2-enamide
CID 111912016
2,2-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 100764025
(E)-N-(3-acetamidopropyl)-3-phenylbut-2-enamide
CID 110309509
(E)-3-(4-fluorophenyl)-N-methylbut-2-enamide
CID 144683992
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
N'-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)oxamide
CID 2883346

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-phenylbut-2-enamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-phenylbut-2-enamide (CID 110912770) is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-phenylbut-2-enamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-phenylbut-2-enamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-phenylbut-2-enamide is CC(=CC(=O)NCC(O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-phenylbut-2-enamide?
The InChIKey is LCXIYSRWZJKFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-13(14-5-3-2-4-6-14)11-18(22)20-12-17(21)15-7-9-16(19)10-8-15/h2-11,17,21H,12H2,1H3,(H,20,22).
What are the key properties of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-phenylbut-2-enamide?
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-phenylbut-2-enamide has a molecular weight of 299.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-phenylbut-2-enamide is sourced from PubChem (CID 110912770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).