2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]acetamide

C10H10Cl3NO — CID 3686662

IUPAC2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CCl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H10Cl3NO/c1-6(14-10(15)5-11)7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyIGSLPFRVZBFLCQ-UHFFFAOYSA-N
MW266.56 g/mol
LogP3.41
Rot. Bonds3

About 2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]acetamide

2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]acetamide (PubChem CID 3686662) has the molecular formula C10H10Cl3NO and a molecular weight of 266.56 g/mol. Its IUPAC name is 2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
PubChem CID3686662
Molecular FormulaC10H10Cl3NO
Molecular Weight266.56 g/mol
Exact Mass264.98
IUPAC Name2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CCl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H10Cl3NO/c1-6(14-10(15)5-11)7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyIGSLPFRVZBFLCQ-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.56
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]acetamide (CID 3686662) is 2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]acetamide is CC(NC(=O)CCl)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]acetamide?
The InChIKey is IGSLPFRVZBFLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl3NO/c1-6(14-10(15)5-11)7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H,14,15).
What are the key properties of 2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]acetamide?
2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]acetamide has a molecular weight of 266.56 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]acetamide is sourced from PubChem (CID 3686662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).