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

C12H8Cl2N2O — CID 762535

IUPAC3,4-dichloro-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl2N2O/c13-10-4-3-8(6-11(10)14)12(17)16-9-2-1-5-15-7-9/h1-7H,(H,16,17)
InChIKeyYIFKMNQYIAKKJF-UHFFFAOYSA-N
MW267.12 g/mol
LogP3.64
Rot. Bonds2

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

3,4-dichloro-N-pyridin-3-ylbenzamide (PubChem CID 762535) has the molecular formula C12H8Cl2N2O and a molecular weight of 267.12 g/mol. Its IUPAC name is 3,4-dichloro-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name3,4-dichloro-N-pyridin-3-ylbenzamide
PubChem CID762535
Molecular FormulaC12H8Cl2N2O
Molecular Weight267.12 g/mol
Exact Mass266.00
IUPAC Name3,4-dichloro-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl2N2O/c13-10-4-3-8(6-11(10)14)12(17)16-9-2-1-5-15-7-9/h1-7H,(H,16,17)
InChIKeyYIFKMNQYIAKKJF-UHFFFAOYSA-N
XLogP3.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-pyridin-3-ylbenzamide?
The IUPAC name of 3,4-dichloro-N-pyridin-3-ylbenzamide (CID 762535) is 3,4-dichloro-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 3,4-dichloro-N-pyridin-3-ylbenzamide?
The canonical SMILES for 3,4-dichloro-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-pyridin-3-ylbenzamide?
The InChIKey is YIFKMNQYIAKKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O/c13-10-4-3-8(6-11(10)14)12(17)16-9-2-1-5-15-7-9/h1-7H,(H,16,17).
What are the key properties of 3,4-dichloro-N-pyridin-3-ylbenzamide?
3,4-dichloro-N-pyridin-3-ylbenzamide has a molecular weight of 267.12 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 762535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).