(E)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-4-(3-fluorophenyl)but-3-enamide

C19H19F2NO3 — CID 111825354

IUPAC(E)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-4-(3-fluorophenyl)but-3-enamide
SMILESO=C(C/C=C/c1cccc(F)c1)NCC(O)COc1ccc(F)cc1
InChIInChI=1S/C19H19F2NO3/c20-15-7-9-18(10-8-15)25-13-17(23)12-22-19(24)6-2-4-14-3-1-5-16(21)11-14/h1-5,7-11,17,23H,6,12-13H2,(H,22,24)/b4-2+
InChIKeyNMHIEPRSLGESMF-DUXPYHPUSA-N
MW347.36 g/mol
LogP2.92
Rot. Bonds8

About (E)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-4-(3-fluorophenyl)but-3-enamide

(E)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-4-(3-fluorophenyl)but-3-enamide (PubChem CID 111825354) has the molecular formula C19H19F2NO3 and a molecular weight of 347.36 g/mol. Its IUPAC name is (E)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-4-(3-fluorophenyl)but-3-enamide.

Molecular Properties

Compound Name(E)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-4-(3-fluorophenyl)but-3-enamide
PubChem CID111825354
Molecular FormulaC19H19F2NO3
Molecular Weight347.36 g/mol
Exact Mass347.13
IUPAC Name(E)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-4-(3-fluorophenyl)but-3-enamide
SMILESO=C(C/C=C/c1cccc(F)c1)NCC(O)COc1ccc(F)cc1
InChIInChI=1S/C19H19F2NO3/c20-15-7-9-18(10-8-15)25-13-17(23)12-22-19(24)6-2-4-14-3-1-5-16(21)11-14/h1-5,7-11,17,23H,6,12-13H2,(H,22,24)/b4-2+
InChIKeyNMHIEPRSLGESMF-DUXPYHPUSA-N
XLogP2.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluorophenyl)-N-(3-hydroxybutyl)but-3-enamide
CID 111779537
(Z)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylbut-2-enamide
CID 111883336
(E)-4-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-3-enamide
CID 111830233
2-(2,6-dimethylanilino)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide
CID 111565418
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-(2-methylphenyl)acetamide
CID 111110931
4-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]pentanamide
CID 120561361
N-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)acetamide
CID 94654317
3-(dimethylamino)-N-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]benzamide
CID 95180097
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide
CID 119304994
3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide
CID 111477313
1-(4-fluorophenoxy)-3-[(3-methylphenyl)methylamino]propan-2-ol
CID 60729279
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide
CID 119751723

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-4-(3-fluorophenyl)but-3-enamide?
The IUPAC name of (E)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-4-(3-fluorophenyl)but-3-enamide (CID 111825354) is (E)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-4-(3-fluorophenyl)but-3-enamide.
What is the SMILES notation for (E)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-4-(3-fluorophenyl)but-3-enamide?
The canonical SMILES for (E)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-4-(3-fluorophenyl)but-3-enamide is O=C(C/C=C/c1cccc(F)c1)NCC(O)COc1ccc(F)cc1.
What is the InChIKey of (E)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-4-(3-fluorophenyl)but-3-enamide?
The InChIKey is NMHIEPRSLGESMF-DUXPYHPUSA-N. The full InChI is InChI=1S/C19H19F2NO3/c20-15-7-9-18(10-8-15)25-13-17(23)12-22-19(24)6-2-4-14-3-1-5-16(21)11-14/h1-5,7-11,17,23H,6,12-13H2,(H,22,24)/b4-2+.
What are the key properties of (E)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-4-(3-fluorophenyl)but-3-enamide?
(E)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-4-(3-fluorophenyl)but-3-enamide has a molecular weight of 347.36 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-4-(3-fluorophenyl)but-3-enamide is sourced from PubChem (CID 111825354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).