N-[2-(4-chlorophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide

C16H14Cl3NO — CID 2354685

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide
SMILESO=C(Cc1c(Cl)cccc1Cl)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H14Cl3NO/c17-12-6-4-11(5-7-12)8-9-20-16(21)10-13-14(18)2-1-3-15(13)19/h1-7H,8-10H2,(H,20,21)
InChIKeyNGWNNSMOIRZDOB-UHFFFAOYSA-N
MW342.65 g/mol
LogP4.55
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide

N-[2-(4-chlorophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide (PubChem CID 2354685) has the molecular formula C16H14Cl3NO and a molecular weight of 342.65 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide
PubChem CID2354685
Molecular FormulaC16H14Cl3NO
Molecular Weight342.65 g/mol
Exact Mass341.01
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide
SMILESO=C(Cc1c(Cl)cccc1Cl)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H14Cl3NO/c17-12-6-4-11(5-7-12)8-9-20-16(21)10-13-14(18)2-1-3-15(13)19/h1-7H,8-10H2,(H,20,21)
InChIKeyNGWNNSMOIRZDOB-UHFFFAOYSA-N
XLogP4.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.65
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide (CID 2354685) is N-[2-(4-chlorophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide is O=C(Cc1c(Cl)cccc1Cl)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide?
The InChIKey is NGWNNSMOIRZDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO/c17-12-6-4-11(5-7-12)8-9-20-16(21)10-13-14(18)2-1-3-15(13)19/h1-7H,8-10H2,(H,20,21).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide has a molecular weight of 342.65 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 2354685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).