(E)-4-(2-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)but-3-enamide

C19H20FNO2 — CID 111830905

IUPAC(E)-4-(2-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)but-3-enamide
SMILESO=C(C/C=C/c1ccccc1F)NCC(O)Cc1ccccc1
InChIInChI=1S/C19H20FNO2/c20-18-11-5-4-9-16(18)10-6-12-19(23)21-14-17(22)13-15-7-2-1-3-8-15/h1-11,17,22H,12-14H2,(H,21,23)/b10-6+
InChIKeyXKWSQGUQOAWUQU-UXBLZVDNSA-N
MW313.37 g/mol
LogP2.95
Rot. Bonds7

About (E)-4-(2-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)but-3-enamide

(E)-4-(2-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)but-3-enamide (PubChem CID 111830905) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is (E)-4-(2-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)but-3-enamide.

Molecular Properties

Compound Name(E)-4-(2-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)but-3-enamide
PubChem CID111830905
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name(E)-4-(2-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)but-3-enamide
SMILESO=C(C/C=C/c1ccccc1F)NCC(O)Cc1ccccc1
InChIInChI=1S/C19H20FNO2/c20-18-11-5-4-9-16(18)10-6-12-19(23)21-14-17(22)13-15-7-2-1-3-8-15/h1-11,17,22H,12-14H2,(H,21,23)/b10-6+
InChIKeyXKWSQGUQOAWUQU-UXBLZVDNSA-N
XLogP2.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-4-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-3-enamide
CID 111830233
2-(2-chloro-6-fluorophenyl)-N-[(2R)-2-hydroxy-3-phenylpropyl]acetamide
CID 98622782
2,3-difluoro-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 111102632
3-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)propanamide
CID 111102768
N-(2-hydroxy-3-phenylpropyl)hexanamide
CID 111102787
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
N-[(2R)-2-hydroxy-3-phenylpropyl]-2-thiophen-2-ylacetamide
CID 95379088
2-(diethylamino)-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 111102671
2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367827
N-(2-hydroxy-3-phenylpropyl)-2-(3-methoxyphenyl)acetamide
CID 90534339
3-fluoro-N-(2-hydroxy-3-phenylpropyl)-4-methoxybenzamide
CID 86264345
2,4-dichloro-5-fluoro-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 111102414

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)but-3-enamide?
The IUPAC name of (E)-4-(2-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)but-3-enamide (CID 111830905) is (E)-4-(2-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)but-3-enamide.
What is the SMILES notation for (E)-4-(2-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)but-3-enamide?
The canonical SMILES for (E)-4-(2-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)but-3-enamide is O=C(C/C=C/c1ccccc1F)NCC(O)Cc1ccccc1.
What is the InChIKey of (E)-4-(2-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)but-3-enamide?
The InChIKey is XKWSQGUQOAWUQU-UXBLZVDNSA-N. The full InChI is InChI=1S/C19H20FNO2/c20-18-11-5-4-9-16(18)10-6-12-19(23)21-14-17(22)13-15-7-2-1-3-8-15/h1-11,17,22H,12-14H2,(H,21,23)/b10-6+.
What are the key properties of (E)-4-(2-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)but-3-enamide?
(E)-4-(2-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)but-3-enamide has a molecular weight of 313.37 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)but-3-enamide is sourced from PubChem (CID 111830905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).