(E)-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide

C11H11Cl2NO2 — CID 43388952

IUPAC(E)-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)cccc1Cl)NCCO
InChIInChI=1S/C11H11Cl2NO2/c12-9-2-1-3-10(13)8(9)4-5-11(16)14-6-7-15/h1-5,15H,6-7H2,(H,14,16)/b5-4+
InChIKeyYRGIWBCIRYNHGK-SNAWJCMRSA-N
MW260.12 g/mol
LogP2.12
Rot. Bonds4

About (E)-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide

(E)-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide (PubChem CID 43388952) has the molecular formula C11H11Cl2NO2 and a molecular weight of 260.12 g/mol. Its IUPAC name is (E)-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
PubChem CID43388952
Molecular FormulaC11H11Cl2NO2
Molecular Weight260.12 g/mol
Exact Mass259.02
IUPAC Name(E)-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)cccc1Cl)NCCO
InChIInChI=1S/C11H11Cl2NO2/c12-9-2-1-3-10(13)8(9)4-5-11(16)14-6-7-15/h1-5,15H,6-7H2,(H,14,16)/b5-4+
InChIKeyYRGIWBCIRYNHGK-SNAWJCMRSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 52.12
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

3-(2,6-dichlorophenyl)-N-propylprop-2-enamide
CID 2930612
(E)-3-(2,6-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 732568
(E)-3-(2,6-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)prop-2-enamide
CID 103772867
(E)-3-(2,6-dichlorophenyl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide
CID 103861642
(E)-3-(2-chloro-6-fluorophenyl)-N-(6-hydroxyhexyl)prop-2-enamide
CID 103919047
(E)-3-(2,6-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide
CID 6077577
3-(2,6-dichlorophenyl)-N-(2-hydroxy-2-methylpropyl)prop-2-enamide
CID 77056235
(E)-3-(2,6-dichlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide
CID 43418447
(E)-3-(2-chloro-6-fluorophenyl)-N-propylprop-2-enamide
CID 6176761
(E)-3-(2,6-dichlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide
CID 9480917
(E)-3-(2,6-dichlorophenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]prop-2-enamide
CID 106252387
(E)-3-(2,6-dichlorophenyl)-N-(4-morpholin-4-ylbutyl)prop-2-enamide
CID 51116604

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide (CID 43388952) is (E)-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide is O=C(/C=C/c1c(Cl)cccc1Cl)NCCO.
What is the InChIKey of (E)-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide?
The InChIKey is YRGIWBCIRYNHGK-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H11Cl2NO2/c12-9-2-1-3-10(13)8(9)4-5-11(16)14-6-7-15/h1-5,15H,6-7H2,(H,14,16)/b5-4+.
What are the key properties of (E)-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide?
(E)-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide has a molecular weight of 260.12 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide is sourced from PubChem (CID 43388952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).