(E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)but-2-enamide

C19H20FNO3 — CID 111912079

IUPAC(E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)but-2-enamide
SMILESCOc1cccc(/C(C)=C/C(=O)NCC(O)c2ccccc2F)c1
InChIInChI=1S/C19H20FNO3/c1-13(14-6-5-7-15(11-14)24-2)10-19(23)21-12-18(22)16-8-3-4-9-17(16)20/h3-11,18,22H,12H2,1-2H3,(H,21,23)/b13-10+
InChIKeyLSHRKRVMKPDPLC-JLHYYAGUSA-N
MW329.37 g/mol
LogP3.09
Rot. Bonds6

About (E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)but-2-enamide

(E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)but-2-enamide (PubChem CID 111912079) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is (E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)but-2-enamide
PubChem CID111912079
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name(E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)but-2-enamide
SMILESCOc1cccc(/C(C)=C/C(=O)NCC(O)c2ccccc2F)c1
InChIInChI=1S/C19H20FNO3/c1-13(14-6-5-7-15(11-14)24-2)10-19(23)21-12-18(22)16-8-3-4-9-17(16)20/h3-11,18,22H,12H2,1-2H3,(H,21,23)/b13-10+
InChIKeyLSHRKRVMKPDPLC-JLHYYAGUSA-N
XLogP3.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.09
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

(E)-N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)but-2-enamide
CID 111911976
(E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methoxyphenyl)but-2-enamide
CID 111566212
(E)-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(3-methoxyphenyl)but-2-enamide
CID 111912016
(E)-N-(3-hydroxybutyl)-3-(3-methoxyphenyl)but-2-enamide
CID 111911961
(E)-N-(3-hydroxy-4-methylpentyl)-3-(3-methoxyphenyl)but-2-enamide
CID 111912040
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-methoxybenzamide
CID 111566266
1-(2-fluorophenyl)-2-(3-methoxyanilino)ethanol
CID 60900716
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methoxybenzamide
CID 95367144
N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methoxybenzamide
CID 56764104
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-phenylbut-2-enamide
CID 110912770
N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(3-methoxyphenyl)but-2-enamide
CID 71860116
3-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566265

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)but-2-enamide?
The IUPAC name of (E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)but-2-enamide (CID 111912079) is (E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)but-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)but-2-enamide?
The canonical SMILES for (E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)but-2-enamide is COc1cccc(/C(C)=C/C(=O)NCC(O)c2ccccc2F)c1.
What is the InChIKey of (E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)but-2-enamide?
The InChIKey is LSHRKRVMKPDPLC-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-13(14-6-5-7-15(11-14)24-2)10-19(23)21-12-18(22)16-8-3-4-9-17(16)20/h3-11,18,22H,12H2,1-2H3,(H,21,23)/b13-10+.
What are the key properties of (E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)but-2-enamide?
(E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)but-2-enamide has a molecular weight of 329.37 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)but-2-enamide is sourced from PubChem (CID 111912079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).