3-(2,6-dichlorophenyl)pentanediamide

C11H12Cl2N2O2 — CID 2732129

IUPAC3-(2,6-dichlorophenyl)pentanediamide
SMILESNC(=O)CC(CC(N)=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H12Cl2N2O2/c12-7-2-1-3-8(13)11(7)6(4-9(14)16)5-10(15)17/h1-3,6H,4-5H2,(H2,14,16)(H2,15,17)
InChIKeyYILQWHJOWKNDEQ-UHFFFAOYSA-N
MW275.13 g/mol
LogP1.83
Rot. Bonds5

About 3-(2,6-dichlorophenyl)pentanediamide

3-(2,6-dichlorophenyl)pentanediamide (PubChem CID 2732129) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)pentanediamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)pentanediamide
PubChem CID2732129
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC Name3-(2,6-dichlorophenyl)pentanediamide
SMILESNC(=O)CC(CC(N)=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H12Cl2N2O2/c12-7-2-1-3-8(13)11(7)6(4-9(14)16)5-10(15)17/h1-3,6H,4-5H2,(H2,14,16)(H2,15,17)
InChIKeyYILQWHJOWKNDEQ-UHFFFAOYSA-N
XLogP1.83
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)pentanediamide?
The IUPAC name of 3-(2,6-dichlorophenyl)pentanediamide (CID 2732129) is 3-(2,6-dichlorophenyl)pentanediamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)pentanediamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)pentanediamide is NC(=O)CC(CC(N)=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)pentanediamide?
The InChIKey is YILQWHJOWKNDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c12-7-2-1-3-8(13)11(7)6(4-9(14)16)5-10(15)17/h1-3,6H,4-5H2,(H2,14,16)(H2,15,17).
What are the key properties of 3-(2,6-dichlorophenyl)pentanediamide?
3-(2,6-dichlorophenyl)pentanediamide has a molecular weight of 275.13 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)pentanediamide is sourced from PubChem (CID 2732129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).