N-[3-(2-chloro-4-hydroxyphenyl)prop-2-enyl]acetamide

C11H12ClNO2 — CID 169465018

IUPACN-[3-(2-chloro-4-hydroxyphenyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc(O)cc1Cl
InChIInChI=1S/C11H12ClNO2/c1-8(14)13-6-2-3-9-4-5-10(15)7-11(9)12/h2-5,7,15H,6H2,1H3,(H,13,14)
InChIKeyHXQCKRGOHXIXOW-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.19
Rot. Bonds3

About N-[3-(2-chloro-4-hydroxyphenyl)prop-2-enyl]acetamide

N-[3-(2-chloro-4-hydroxyphenyl)prop-2-enyl]acetamide (PubChem CID 169465018) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is N-[3-(2-chloro-4-hydroxyphenyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-chloro-4-hydroxyphenyl)prop-2-enyl]acetamide
PubChem CID169465018
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC NameN-[3-(2-chloro-4-hydroxyphenyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc(O)cc1Cl
InChIInChI=1S/C11H12ClNO2/c1-8(14)13-6-2-3-9-4-5-10(15)7-11(9)12/h2-5,7,15H,6H2,1H3,(H,13,14)
InChIKeyHXQCKRGOHXIXOW-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-amino-2,5-dichlorophenyl)prop-2-enyl]acetamide
CID 169465500
N-[3-(2,3-dichlorophenyl)prop-2-enyl]acetamide
CID 169464992
N-[3-(2-bromo-4-chlorophenyl)prop-2-enyl]acetamide
CID 169466504
N-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]acetamide
CID 169465270
N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide
CID 169464994
(E)-6-(2-chloro-4-hydroxyphenyl)hex-5-ene-2,4-dione
CID 67106842
tert-butyl N-[3-(2-chloro-5-hydroxyphenyl)prop-2-enyl]carbamate
CID 169467073
N-[3-(5-hydroxy-2-pyridinyl)prop-2-enyl]acetamide
CID 169464931
N-[3-(4-chloroquinazolin-6-yl)prop-2-enyl]acetamide
CID 169466581
3-(3-acetamidoprop-1-enyl)-6-chloropyridine-2-carboxylic acid
CID 169465848
N-[3-(2,4,6-trihydroxyphenyl)prop-2-enyl]acetamide
CID 169466663
N-[3-[4-(hydroxymethyl)-2-methylphenyl]prop-2-enyl]acetamide
CID 169465372

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloro-4-hydroxyphenyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(2-chloro-4-hydroxyphenyl)prop-2-enyl]acetamide (CID 169465018) is N-[3-(2-chloro-4-hydroxyphenyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(2-chloro-4-hydroxyphenyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(2-chloro-4-hydroxyphenyl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1ccc(O)cc1Cl.
What is the InChIKey of N-[3-(2-chloro-4-hydroxyphenyl)prop-2-enyl]acetamide?
The InChIKey is HXQCKRGOHXIXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-8(14)13-6-2-3-9-4-5-10(15)7-11(9)12/h2-5,7,15H,6H2,1H3,(H,13,14).
What are the key properties of N-[3-(2-chloro-4-hydroxyphenyl)prop-2-enyl]acetamide?
N-[3-(2-chloro-4-hydroxyphenyl)prop-2-enyl]acetamide has a molecular weight of 225.68 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloro-4-hydroxyphenyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169465018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).