4-(4-chlorophenoxy)-6-oxo-1-phenylpyridazine-3-carboxamide

C17H12ClN3O3 — CID 1478572

IUPAC4-(4-chlorophenoxy)-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESNC(=O)c1nn(-c2ccccc2)c(=O)cc1Oc1ccc(Cl)cc1
InChIInChI=1S/C17H12ClN3O3/c18-11-6-8-13(9-7-11)24-14-10-15(22)21(20-16(14)17(19)23)12-4-2-1-3-5-12/h1-10H,(H2,19,23)
InChIKeyJNJFDMSSDRBEMQ-UHFFFAOYSA-N
MW341.75 g/mol
LogP2.78
Rot. Bonds4

About 4-(4-chlorophenoxy)-6-oxo-1-phenylpyridazine-3-carboxamide

4-(4-chlorophenoxy)-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 1478572) has the molecular formula C17H12ClN3O3 and a molecular weight of 341.75 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID1478572
Molecular FormulaC17H12ClN3O3
Molecular Weight341.75 g/mol
Exact Mass341.06
IUPAC Name4-(4-chlorophenoxy)-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESNC(=O)c1nn(-c2ccccc2)c(=O)cc1Oc1ccc(Cl)cc1
InChIInChI=1S/C17H12ClN3O3/c18-11-6-8-13(9-7-11)24-14-10-15(22)21(20-16(14)17(19)23)12-4-2-1-3-5-12/h1-10H,(H2,19,23)
InChIKeyJNJFDMSSDRBEMQ-UHFFFAOYSA-N
XLogP2.78
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.75
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of 4-(4-chlorophenoxy)-6-oxo-1-phenylpyridazine-3-carboxamide (CID 1478572) is 4-(4-chlorophenoxy)-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for 4-(4-chlorophenoxy)-6-oxo-1-phenylpyridazine-3-carboxamide is NC(=O)c1nn(-c2ccccc2)c(=O)cc1Oc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is JNJFDMSSDRBEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O3/c18-11-6-8-13(9-7-11)24-14-10-15(22)21(20-16(14)17(19)23)12-4-2-1-3-5-12/h1-10H,(H2,19,23).
What are the key properties of 4-(4-chlorophenoxy)-6-oxo-1-phenylpyridazine-3-carboxamide?
4-(4-chlorophenoxy)-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 341.75 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 1478572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).