(E)-3-(2-fluorophenyl)-N-[(2R)-2-hydroxypropyl]prop-2-enamide

C12H14FNO2 — CID 83059614

IUPAC(E)-3-(2-fluorophenyl)-N-[(2R)-2-hydroxypropyl]prop-2-enamide
SMILESC[C@@H](O)CNC(=O)/C=C/c1ccccc1F
InChIInChI=1S/C12H14FNO2/c1-9(15)8-14-12(16)7-6-10-4-2-3-5-11(10)13/h2-7,9,15H,8H2,1H3,(H,14,16)/b7-6+/t9-/m1/s1
InChIKeyUUEKZURWIOTTIN-XCODYQFDSA-N
MW223.25 g/mol
LogP1.34
Rot. Bonds4

About (E)-3-(2-fluorophenyl)-N-[(2R)-2-hydroxypropyl]prop-2-enamide

(E)-3-(2-fluorophenyl)-N-[(2R)-2-hydroxypropyl]prop-2-enamide (PubChem CID 83059614) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (E)-3-(2-fluorophenyl)-N-[(2R)-2-hydroxypropyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-fluorophenyl)-N-[(2R)-2-hydroxypropyl]prop-2-enamide
PubChem CID83059614
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(E)-3-(2-fluorophenyl)-N-[(2R)-2-hydroxypropyl]prop-2-enamide
SMILESC[C@@H](O)CNC(=O)/C=C/c1ccccc1F
InChIInChI=1S/C12H14FNO2/c1-9(15)8-14-12(16)7-6-10-4-2-3-5-11(10)13/h2-7,9,15H,8H2,1H3,(H,14,16)/b7-6+/t9-/m1/s1
InChIKeyUUEKZURWIOTTIN-XCODYQFDSA-N
XLogP1.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.34
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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Related Compounds

(E)-3-(2-chloro-6-fluorophenyl)-N-[(2R)-2-hydroxypropyl]prop-2-enamide
CID 83059477
(E)-3-(2-chloro-6-fluorophenyl)-N-(2-hydroxypropyl)prop-2-enamide
CID 43418406
(E)-3-(2-fluorophenyl)-N-prop-2-ynylprop-2-enamide
CID 39736966
(E)-N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)prop-2-enamide
CID 90264801
N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)prop-2-enamide;hydrochloride
CID 158649550
(2R)-2-[3-(2-fluorophenyl)prop-2-enoylamino]propanoic acid
CID 78972924
(E)-3-(2-fluorophenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 9315117
(E)-3-(2-fluorophenyl)prop-2-enehydrazide
CID 43236608
(E)-3-(2,6-dichlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide
CID 43418447
(E)-3-(2-fluorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]prop-2-enamide
CID 93040792
3-(2-chlorophenyl)-N-(3-hydroxybutyl)prop-2-enamide
CID 77037719
3-(2-fluorophenyl)-N-[1-(4-propan-2-ylphenyl)ethyl]prop-2-enamide
CID 4634324

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-fluorophenyl)-N-[(2R)-2-hydroxypropyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-fluorophenyl)-N-[(2R)-2-hydroxypropyl]prop-2-enamide (CID 83059614) is (E)-3-(2-fluorophenyl)-N-[(2R)-2-hydroxypropyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-fluorophenyl)-N-[(2R)-2-hydroxypropyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-fluorophenyl)-N-[(2R)-2-hydroxypropyl]prop-2-enamide is C[C@@H](O)CNC(=O)/C=C/c1ccccc1F.
What is the InChIKey of (E)-3-(2-fluorophenyl)-N-[(2R)-2-hydroxypropyl]prop-2-enamide?
The InChIKey is UUEKZURWIOTTIN-XCODYQFDSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-9(15)8-14-12(16)7-6-10-4-2-3-5-11(10)13/h2-7,9,15H,8H2,1H3,(H,14,16)/b7-6+/t9-/m1/s1.
What are the key properties of (E)-3-(2-fluorophenyl)-N-[(2R)-2-hydroxypropyl]prop-2-enamide?
(E)-3-(2-fluorophenyl)-N-[(2R)-2-hydroxypropyl]prop-2-enamide has a molecular weight of 223.25 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-fluorophenyl)-N-[(2R)-2-hydroxypropyl]prop-2-enamide is sourced from PubChem (CID 83059614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).