N-(2-chloroprop-2-enyl)-2-(3,4-dichlorophenoxy)acetamide

C11H10Cl3NO2 — CID 115636790

IUPACN-(2-chloroprop-2-enyl)-2-(3,4-dichlorophenoxy)acetamide
SMILESC=C(Cl)CNC(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl3NO2/c1-7(12)5-15-11(16)6-17-8-2-3-9(13)10(14)4-8/h2-4H,1,5-6H2,(H,15,16)
InChIKeyFMZQSVKOQJOLQA-UHFFFAOYSA-N
MW294.57 g/mol
LogP3.24
Rot. Bonds5

About N-(2-chloroprop-2-enyl)-2-(3,4-dichlorophenoxy)acetamide

N-(2-chloroprop-2-enyl)-2-(3,4-dichlorophenoxy)acetamide (PubChem CID 115636790) has the molecular formula C11H10Cl3NO2 and a molecular weight of 294.57 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-2-(3,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-2-(3,4-dichlorophenoxy)acetamide
PubChem CID115636790
Molecular FormulaC11H10Cl3NO2
Molecular Weight294.57 g/mol
Exact Mass292.98
IUPAC NameN-(2-chloroprop-2-enyl)-2-(3,4-dichlorophenoxy)acetamide
SMILESC=C(Cl)CNC(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl3NO2/c1-7(12)5-15-11(16)6-17-8-2-3-9(13)10(14)4-8/h2-4H,1,5-6H2,(H,15,16)
InChIKeyFMZQSVKOQJOLQA-UHFFFAOYSA-N
XLogP3.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.57
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroprop-2-enyl)-2-(4-methylphenoxy)acetamide
CID 115636840
N-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride
CID 119382882
2-[[2-(3,4-dichlorophenoxy)acetyl]amino]ethyl carbamate
CID 175188468
N-[2-(cyanoamino)ethyl]-2-(3,4-dichlorophenoxy)acetamide
CID 154687601
2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119505786
2-(2-chloro-4-fluorophenoxy)-N-(2-chloroprop-2-enyl)acetamide
CID 115636624
2-(3,4-dichlorophenoxy)-N-[[(3S,4R)-4-[[[2-(3,4-dichlorophenoxy)acetyl]amino]methyl]oxolan-3-yl]methyl]acetamide
CID 146366190
2-(3,4-dichlorophenoxy)-N'-ethenylsulfonylacetohydrazide
CID 154687843
3-[[2-(3,4-dichlorophenoxy)acetyl]amino]butanoic acid
CID 43360889
2-(3,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 9196943
2-(3,4-dichlorophenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 7604220
N-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 95168672

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-2-(3,4-dichlorophenoxy)acetamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-2-(3,4-dichlorophenoxy)acetamide (CID 115636790) is N-(2-chloroprop-2-enyl)-2-(3,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-2-(3,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-2-(3,4-dichlorophenoxy)acetamide is C=C(Cl)CNC(=O)COc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-2-(3,4-dichlorophenoxy)acetamide?
The InChIKey is FMZQSVKOQJOLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl3NO2/c1-7(12)5-15-11(16)6-17-8-2-3-9(13)10(14)4-8/h2-4H,1,5-6H2,(H,15,16).
What are the key properties of N-(2-chloroprop-2-enyl)-2-(3,4-dichlorophenoxy)acetamide?
N-(2-chloroprop-2-enyl)-2-(3,4-dichlorophenoxy)acetamide has a molecular weight of 294.57 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-2-(3,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 115636790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).