N-(6-chloro-5-phenylpyridazin-3-yl)benzamide

C17H12ClN3O — CID 71579985

IUPACN-(6-chloro-5-phenylpyridazin-3-yl)benzamide
SMILESO=C(Nc1cc(-c2ccccc2)c(Cl)nn1)c1ccccc1
InChIInChI=1S/C17H12ClN3O/c18-16-14(12-7-3-1-4-8-12)11-15(20-21-16)19-17(22)13-9-5-2-6-10-13/h1-11H,(H,19,20,22)
InChIKeyAASSEJKCAXVCCF-UHFFFAOYSA-N
MW309.76 g/mol
LogP4.05
Rot. Bonds3

About N-(6-chloro-5-phenylpyridazin-3-yl)benzamide

N-(6-chloro-5-phenylpyridazin-3-yl)benzamide (PubChem CID 71579985) has the molecular formula C17H12ClN3O and a molecular weight of 309.76 g/mol. Its IUPAC name is N-(6-chloro-5-phenylpyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-(6-chloro-5-phenylpyridazin-3-yl)benzamide
PubChem CID71579985
Molecular FormulaC17H12ClN3O
Molecular Weight309.76 g/mol
Exact Mass309.07
IUPAC NameN-(6-chloro-5-phenylpyridazin-3-yl)benzamide
SMILESO=C(Nc1cc(-c2ccccc2)c(Cl)nn1)c1ccccc1
InChIInChI=1S/C17H12ClN3O/c18-16-14(12-7-3-1-4-8-12)11-15(20-21-16)19-17(22)13-9-5-2-6-10-13/h1-11H,(H,19,20,22)
InChIKeyAASSEJKCAXVCCF-UHFFFAOYSA-N
XLogP4.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-phenylpyridazin-3-yl)benzamide?
The IUPAC name of N-(6-chloro-5-phenylpyridazin-3-yl)benzamide (CID 71579985) is N-(6-chloro-5-phenylpyridazin-3-yl)benzamide.
What is the SMILES notation for N-(6-chloro-5-phenylpyridazin-3-yl)benzamide?
The canonical SMILES for N-(6-chloro-5-phenylpyridazin-3-yl)benzamide is O=C(Nc1cc(-c2ccccc2)c(Cl)nn1)c1ccccc1.
What is the InChIKey of N-(6-chloro-5-phenylpyridazin-3-yl)benzamide?
The InChIKey is AASSEJKCAXVCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O/c18-16-14(12-7-3-1-4-8-12)11-15(20-21-16)19-17(22)13-9-5-2-6-10-13/h1-11H,(H,19,20,22).
What are the key properties of N-(6-chloro-5-phenylpyridazin-3-yl)benzamide?
N-(6-chloro-5-phenylpyridazin-3-yl)benzamide has a molecular weight of 309.76 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-phenylpyridazin-3-yl)benzamide is sourced from PubChem (CID 71579985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).