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

C19H20FNO3 — CID 111566212

IUPAC(E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methoxyphenyl)but-2-enamide
SMILESCOc1ccccc1/C(C)=C/C(=O)NCC(O)c1ccccc1F
InChIInChI=1S/C19H20FNO3/c1-13(14-7-4-6-10-18(14)24-2)11-19(23)21-12-17(22)15-8-3-5-9-16(15)20/h3-11,17,22H,12H2,1-2H3,(H,21,23)/b13-11+
InChIKeyZTSIZGWSMBBFAD-ACCUITESSA-N
MW329.37 g/mol
LogP3.09
Rot. Bonds6

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

(E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methoxyphenyl)but-2-enamide (PubChem CID 111566212) 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-(2-methoxyphenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methoxyphenyl)but-2-enamide
PubChem CID111566212
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name(E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methoxyphenyl)but-2-enamide
SMILESCOc1ccccc1/C(C)=C/C(=O)NCC(O)c1ccccc1F
InChIInChI=1S/C19H20FNO3/c1-13(14-7-4-6-10-18(14)24-2)11-19(23)21-12-17(22)15-8-3-5-9-16(15)20/h3-11,17,22H,12H2,1-2H3,(H,21,23)/b13-11+
InChIKeyZTSIZGWSMBBFAD-ACCUITESSA-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-(2-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)but-2-enamide
CID 111912079
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-methoxybenzamide
CID 111566266
2-cyclobutyloxy-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111565849
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(2-methylphenoxy)butanamide
CID 111565790
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-phenylbut-2-enamide
CID 110912770
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
CID 71982886
(2R)-2-bromo-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]propanamide
CID 97181612
N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 51080282
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea
CID 97225938
3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-(2-methoxyphenyl)butanamide
CID 110901250
1-[5-[2-(2-fluorophenyl)-2-hydroxyethoxy]-2-methoxyphenyl]ethanone
CID 110017843
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
CID 51939745

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methoxyphenyl)but-2-enamide?
The IUPAC name of (E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methoxyphenyl)but-2-enamide (CID 111566212) is (E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methoxyphenyl)but-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methoxyphenyl)but-2-enamide?
The canonical SMILES for (E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methoxyphenyl)but-2-enamide is COc1ccccc1/C(C)=C/C(=O)NCC(O)c1ccccc1F.
What is the InChIKey of (E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methoxyphenyl)but-2-enamide?
The InChIKey is ZTSIZGWSMBBFAD-ACCUITESSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-13(14-7-4-6-10-18(14)24-2)11-19(23)21-12-17(22)15-8-3-5-9-16(15)20/h3-11,17,22H,12H2,1-2H3,(H,21,23)/b13-11+.
What are the key properties of (E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methoxyphenyl)but-2-enamide?
(E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-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-(2-methoxyphenyl)but-2-enamide is sourced from PubChem (CID 111566212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).