(E)-4-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-3-enamide

C20H22FNO3 — CID 111830233

IUPAC(E)-4-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-3-enamide
SMILESCc1cccc(OCC(O)CNC(=O)C/C=C/c2ccccc2F)c1
InChIInChI=1S/C20H22FNO3/c1-15-6-4-9-18(12-15)25-14-17(23)13-22-20(24)11-5-8-16-7-2-3-10-19(16)21/h2-10,12,17,23H,11,13-14H2,1H3,(H,22,24)/b8-5+
InChIKeyJPCGTGHELMQDGD-VMPITWQZSA-N
MW343.40 g/mol
LogP3.09
Rot. Bonds8

About (E)-4-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-3-enamide

(E)-4-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-3-enamide (PubChem CID 111830233) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is (E)-4-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-3-enamide.

Molecular Properties

Compound Name(E)-4-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-3-enamide
PubChem CID111830233
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name(E)-4-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-3-enamide
SMILESCc1cccc(OCC(O)CNC(=O)C/C=C/c2ccccc2F)c1
InChIInChI=1S/C20H22FNO3/c1-15-6-4-9-18(12-15)25-14-17(23)13-22-20(24)11-5-8-16-7-2-3-10-19(16)21/h2-10,12,17,23H,11,13-14H2,1H3,(H,22,24)/b8-5+
InChIKeyJPCGTGHELMQDGD-VMPITWQZSA-N
XLogP3.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]propanamide
CID 111110453
2-(4-chlorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide
CID 110904498
2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide
CID 110911248
3-(3-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]butanamide
CID 111422356
(E)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-4-(3-fluorophenyl)but-3-enamide
CID 111825354
(2S)-2-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3,3-dimethylbutanamide
CID 119751623
1-(4-fluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110904652
1-(2,5-difluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110931993
1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110904579
N-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)acetamide
CID 94654317
3-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 60583795
N-[2-hydroxy-3-(3-methylphenoxy)propyl]-2,5-dimethylfuran-3-carboxamide
CID 110904505

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-3-enamide?
The IUPAC name of (E)-4-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-3-enamide (CID 111830233) is (E)-4-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-3-enamide.
What is the SMILES notation for (E)-4-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-3-enamide?
The canonical SMILES for (E)-4-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-3-enamide is Cc1cccc(OCC(O)CNC(=O)C/C=C/c2ccccc2F)c1.
What is the InChIKey of (E)-4-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-3-enamide?
The InChIKey is JPCGTGHELMQDGD-VMPITWQZSA-N. The full InChI is InChI=1S/C20H22FNO3/c1-15-6-4-9-18(12-15)25-14-17(23)13-22-20(24)11-5-8-16-7-2-3-10-19(16)21/h2-10,12,17,23H,11,13-14H2,1H3,(H,22,24)/b8-5+.
What are the key properties of (E)-4-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-3-enamide?
(E)-4-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-3-enamide has a molecular weight of 343.40 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-3-enamide is sourced from PubChem (CID 111830233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).