N-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]acetamide

C12H14ClNO3 — CID 174646085

IUPACN-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]acetamide
SMILESCOc1cc(Cl)c(C=CNC(C)=O)cc1OC
InChIInChI=1S/C12H14ClNO3/c1-8(15)14-5-4-9-6-11(16-2)12(17-3)7-10(9)13/h4-7H,1-3H3,(H,14,15)
InChIKeyXDNYTNOOAZYKJL-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.46
Rot. Bonds4

About N-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]acetamide

N-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]acetamide (PubChem CID 174646085) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is N-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]acetamide
PubChem CID174646085
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC NameN-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]acetamide
SMILESCOc1cc(Cl)c(C=CNC(C)=O)cc1OC
InChIInChI=1S/C12H14ClNO3/c1-8(15)14-5-4-9-6-11(16-2)12(17-3)7-10(9)13/h4-7H,1-3H3,(H,14,15)
InChIKeyXDNYTNOOAZYKJL-UHFFFAOYSA-N
XLogP2.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]acetamide?
The IUPAC name of N-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]acetamide (CID 174646085) is N-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]acetamide.
What is the SMILES notation for N-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]acetamide?
The canonical SMILES for N-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]acetamide is COc1cc(Cl)c(C=CNC(C)=O)cc1OC.
What is the InChIKey of N-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]acetamide?
The InChIKey is XDNYTNOOAZYKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-8(15)14-5-4-9-6-11(16-2)12(17-3)7-10(9)13/h4-7H,1-3H3,(H,14,15).
What are the key properties of N-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]acetamide?
N-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]acetamide has a molecular weight of 255.70 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]acetamide is sourced from PubChem (CID 174646085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).