3,5-dichloro-4-methoxy-N-pyridin-3-ylbenzamide

C13H10Cl2N2O2 — CID 952239

IUPAC3,5-dichloro-4-methoxy-N-pyridin-3-ylbenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2cccnc2)cc1Cl
InChIInChI=1S/C13H10Cl2N2O2/c1-19-12-10(14)5-8(6-11(12)15)13(18)17-9-3-2-4-16-7-9/h2-7H,1H3,(H,17,18)
InChIKeyFJSKIWDDMKSFEO-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.65
Rot. Bonds3

About 3,5-dichloro-4-methoxy-N-pyridin-3-ylbenzamide

3,5-dichloro-4-methoxy-N-pyridin-3-ylbenzamide (PubChem CID 952239) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 3,5-dichloro-4-methoxy-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name3,5-dichloro-4-methoxy-N-pyridin-3-ylbenzamide
PubChem CID952239
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name3,5-dichloro-4-methoxy-N-pyridin-3-ylbenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2cccnc2)cc1Cl
InChIInChI=1S/C13H10Cl2N2O2/c1-19-12-10(14)5-8(6-11(12)15)13(18)17-9-3-2-4-16-7-9/h2-7H,1H3,(H,17,18)
InChIKeyFJSKIWDDMKSFEO-UHFFFAOYSA-N
XLogP3.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methoxy-N-pyridin-3-ylbenzamide?
The IUPAC name of 3,5-dichloro-4-methoxy-N-pyridin-3-ylbenzamide (CID 952239) is 3,5-dichloro-4-methoxy-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 3,5-dichloro-4-methoxy-N-pyridin-3-ylbenzamide?
The canonical SMILES for 3,5-dichloro-4-methoxy-N-pyridin-3-ylbenzamide is COc1c(Cl)cc(C(=O)Nc2cccnc2)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-methoxy-N-pyridin-3-ylbenzamide?
The InChIKey is FJSKIWDDMKSFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c1-19-12-10(14)5-8(6-11(12)15)13(18)17-9-3-2-4-16-7-9/h2-7H,1H3,(H,17,18).
What are the key properties of 3,5-dichloro-4-methoxy-N-pyridin-3-ylbenzamide?
3,5-dichloro-4-methoxy-N-pyridin-3-ylbenzamide has a molecular weight of 297.14 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methoxy-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 952239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).