(Z)-3-cyclopropyl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]but-2-enamide

C15H17F2NO2 — CID 111451278

IUPAC(Z)-3-cyclopropyl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]but-2-enamide
SMILESC/C(=C/C(=O)NCC(O)c1c(F)cccc1F)C1CC1
InChIInChI=1S/C15H17F2NO2/c1-9(10-5-6-10)7-14(20)18-8-13(19)15-11(16)3-2-4-12(15)17/h2-4,7,10,13,19H,5-6,8H2,1H3,(H,18,20)/b9-7-
InChIKeyPICOICSUYRWPJV-CLFYSBASSA-N
MW281.30 g/mol
LogP2.47
Rot. Bonds5

About (Z)-3-cyclopropyl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]but-2-enamide

(Z)-3-cyclopropyl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]but-2-enamide (PubChem CID 111451278) has the molecular formula C15H17F2NO2 and a molecular weight of 281.30 g/mol. Its IUPAC name is (Z)-3-cyclopropyl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]but-2-enamide.

Molecular Properties

Compound Name(Z)-3-cyclopropyl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]but-2-enamide
PubChem CID111451278
Molecular FormulaC15H17F2NO2
Molecular Weight281.30 g/mol
Exact Mass281.12
IUPAC Name(Z)-3-cyclopropyl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]but-2-enamide
SMILESC/C(=C/C(=O)NCC(O)c1c(F)cccc1F)C1CC1
InChIInChI=1S/C15H17F2NO2/c1-9(10-5-6-10)7-14(20)18-8-13(19)15-11(16)3-2-4-12(15)17/h2-4,7,10,13,19H,5-6,8H2,1H3,(H,18,20)/b9-7-
InChIKeyPICOICSUYRWPJV-CLFYSBASSA-N
XLogP2.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-cyclopropyl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]but-2-enamide?
The IUPAC name of (Z)-3-cyclopropyl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]but-2-enamide (CID 111451278) is (Z)-3-cyclopropyl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]but-2-enamide.
What is the SMILES notation for (Z)-3-cyclopropyl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]but-2-enamide?
The canonical SMILES for (Z)-3-cyclopropyl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]but-2-enamide is C/C(=C/C(=O)NCC(O)c1c(F)cccc1F)C1CC1.
What is the InChIKey of (Z)-3-cyclopropyl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]but-2-enamide?
The InChIKey is PICOICSUYRWPJV-CLFYSBASSA-N. The full InChI is InChI=1S/C15H17F2NO2/c1-9(10-5-6-10)7-14(20)18-8-13(19)15-11(16)3-2-4-12(15)17/h2-4,7,10,13,19H,5-6,8H2,1H3,(H,18,20)/b9-7-.
What are the key properties of (Z)-3-cyclopropyl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]but-2-enamide?
(Z)-3-cyclopropyl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]but-2-enamide has a molecular weight of 281.30 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyclopropyl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]but-2-enamide is sourced from PubChem (CID 111451278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).