N-[1-(3,4-dichlorophenyl)ethenyl]acetamide

C10H9Cl2NO — CID 71418984

IUPACN-[1-(3,4-dichlorophenyl)ethenyl]acetamide
SMILESC=C(NC(C)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H9Cl2NO/c1-6(13-7(2)14)8-3-4-9(11)10(12)5-8/h3-5H,1H2,2H3,(H,13,14)
InChIKeyFRBZRGLMKMAJJS-UHFFFAOYSA-N
MW230.09 g/mol
LogP3.10
Rot. Bonds2

About N-[1-(3,4-dichlorophenyl)ethenyl]acetamide

N-[1-(3,4-dichlorophenyl)ethenyl]acetamide (PubChem CID 71418984) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethenyl]acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethenyl]acetamide
PubChem CID71418984
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC NameN-[1-(3,4-dichlorophenyl)ethenyl]acetamide
SMILESC=C(NC(C)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H9Cl2NO/c1-6(13-7(2)14)8-3-4-9(11)10(12)5-8/h3-5H,1H2,2H3,(H,13,14)
InChIKeyFRBZRGLMKMAJJS-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethenyl]acetamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethenyl]acetamide (CID 71418984) is N-[1-(3,4-dichlorophenyl)ethenyl]acetamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethenyl]acetamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethenyl]acetamide is C=C(NC(C)=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethenyl]acetamide?
The InChIKey is FRBZRGLMKMAJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c1-6(13-7(2)14)8-3-4-9(11)10(12)5-8/h3-5H,1H2,2H3,(H,13,14).
What are the key properties of N-[1-(3,4-dichlorophenyl)ethenyl]acetamide?
N-[1-(3,4-dichlorophenyl)ethenyl]acetamide has a molecular weight of 230.09 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethenyl]acetamide is sourced from PubChem (CID 71418984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).