2,6-dichloro-3-[(3,5-dichloro-2-pyridinyl)methyl]benzamide

C13H8Cl4N2O — CID 142682491

IUPAC2,6-dichloro-3-[(3,5-dichloro-2-pyridinyl)methyl]benzamide
SMILESNC(=O)c1c(Cl)ccc(Cc2ncc(Cl)cc2Cl)c1Cl
InChIInChI=1S/C13H8Cl4N2O/c14-7-4-9(16)10(19-5-7)3-6-1-2-8(15)11(12(6)17)13(18)20/h1-2,4-5H,3H2,(H2,18,20)
InChIKeyRRRPSKOUGXUDCY-UHFFFAOYSA-N
MW350.03 g/mol
LogP4.38
Rot. Bonds3

About 2,6-dichloro-3-[(3,5-dichloro-2-pyridinyl)methyl]benzamide

2,6-dichloro-3-[(3,5-dichloro-2-pyridinyl)methyl]benzamide (PubChem CID 142682491) has the molecular formula C13H8Cl4N2O and a molecular weight of 350.03 g/mol. Its IUPAC name is 2,6-dichloro-3-[(3,5-dichloro-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-3-[(3,5-dichloro-2-pyridinyl)methyl]benzamide
PubChem CID142682491
Molecular FormulaC13H8Cl4N2O
Molecular Weight350.03 g/mol
Exact Mass347.94
IUPAC Name2,6-dichloro-3-[(3,5-dichloro-2-pyridinyl)methyl]benzamide
SMILESNC(=O)c1c(Cl)ccc(Cc2ncc(Cl)cc2Cl)c1Cl
InChIInChI=1S/C13H8Cl4N2O/c14-7-4-9(16)10(19-5-7)3-6-1-2-8(15)11(12(6)17)13(18)20/h1-2,4-5H,3H2,(H2,18,20)
InChIKeyRRRPSKOUGXUDCY-UHFFFAOYSA-N
XLogP4.38
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.03
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-[(3,5-dichloro-2-pyridinyl)methyl]benzamide?
The IUPAC name of 2,6-dichloro-3-[(3,5-dichloro-2-pyridinyl)methyl]benzamide (CID 142682491) is 2,6-dichloro-3-[(3,5-dichloro-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2,6-dichloro-3-[(3,5-dichloro-2-pyridinyl)methyl]benzamide?
The canonical SMILES for 2,6-dichloro-3-[(3,5-dichloro-2-pyridinyl)methyl]benzamide is NC(=O)c1c(Cl)ccc(Cc2ncc(Cl)cc2Cl)c1Cl.
What is the InChIKey of 2,6-dichloro-3-[(3,5-dichloro-2-pyridinyl)methyl]benzamide?
The InChIKey is RRRPSKOUGXUDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl4N2O/c14-7-4-9(16)10(19-5-7)3-6-1-2-8(15)11(12(6)17)13(18)20/h1-2,4-5H,3H2,(H2,18,20).
What are the key properties of 2,6-dichloro-3-[(3,5-dichloro-2-pyridinyl)methyl]benzamide?
2,6-dichloro-3-[(3,5-dichloro-2-pyridinyl)methyl]benzamide has a molecular weight of 350.03 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-[(3,5-dichloro-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 142682491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).