N-(2,6-dichlorophenyl)cyclobutanecarboxamide

C11H11Cl2NO — CID 660590

IUPACN-(2,6-dichlorophenyl)cyclobutanecarboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)C1CCC1
InChIInChI=1S/C11H11Cl2NO/c12-8-5-2-6-9(13)10(8)14-11(15)7-3-1-4-7/h2,5-7H,1,3-4H2,(H,14,15)
InChIKeyJONFYQSLJNSWOY-UHFFFAOYSA-N
MW244.12 g/mol
LogP3.73
Rot. Bonds2

About N-(2,6-dichlorophenyl)cyclobutanecarboxamide

N-(2,6-dichlorophenyl)cyclobutanecarboxamide (PubChem CID 660590) has the molecular formula C11H11Cl2NO and a molecular weight of 244.12 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)cyclobutanecarboxamide
PubChem CID660590
Molecular FormulaC11H11Cl2NO
Molecular Weight244.12 g/mol
Exact Mass243.02
IUPAC NameN-(2,6-dichlorophenyl)cyclobutanecarboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)C1CCC1
InChIInChI=1S/C11H11Cl2NO/c12-8-5-2-6-9(13)10(8)14-11(15)7-3-1-4-7/h2,5-7H,1,3-4H2,(H,14,15)
InChIKeyJONFYQSLJNSWOY-UHFFFAOYSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)cyclobutanecarboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)cyclobutanecarboxamide (CID 660590) is N-(2,6-dichlorophenyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)cyclobutanecarboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)cyclobutanecarboxamide is O=C(Nc1c(Cl)cccc1Cl)C1CCC1.
What is the InChIKey of N-(2,6-dichlorophenyl)cyclobutanecarboxamide?
The InChIKey is JONFYQSLJNSWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO/c12-8-5-2-6-9(13)10(8)14-11(15)7-3-1-4-7/h2,5-7H,1,3-4H2,(H,14,15).
What are the key properties of N-(2,6-dichlorophenyl)cyclobutanecarboxamide?
N-(2,6-dichlorophenyl)cyclobutanecarboxamide has a molecular weight of 244.12 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)cyclobutanecarboxamide is sourced from PubChem (CID 660590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).