2,5-dichloro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide

C17H11Cl2N3O2 — CID 49035341

IUPAC2,5-dichloro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H11Cl2N3O2/c18-11-4-5-14(19)13(9-11)17(24)20-12-3-1-2-10(8-12)15-6-7-16(23)22-21-15/h1-9H,(H,20,24)(H,22,23)
InChIKeyKKMPDYCMJQYWDH-UHFFFAOYSA-N
MW360.20 g/mol
LogP4.00
Rot. Bonds3

About 2,5-dichloro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide

2,5-dichloro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide (PubChem CID 49035341) has the molecular formula C17H11Cl2N3O2 and a molecular weight of 360.20 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
PubChem CID49035341
Molecular FormulaC17H11Cl2N3O2
Molecular Weight360.20 g/mol
Exact Mass359.02
IUPAC Name2,5-dichloro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H11Cl2N3O2/c18-11-4-5-14(19)13(9-11)17(24)20-12-3-1-2-10(8-12)15-6-7-16(23)22-21-15/h1-9H,(H,20,24)(H,22,23)
InChIKeyKKMPDYCMJQYWDH-UHFFFAOYSA-N
XLogP4.00
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49034784
5-(3,5-dichlorophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide
CID 99292344
4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035283
3-fluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035357
methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 108747797
2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 30859274
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylthiophene-2-carboxamide
CID 49034810
2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 108769888
N-[3-[[3-(6-oxo-1H-pyridazin-3-yl)benzoyl]amino]phenyl]pyrimidine-2-carboxamide
CID 167918564
3-chloro-4-ethoxy-5-methoxy-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49034999
2,5-dichloro-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82252888
2,5-dichloro-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 91676947

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide (CID 49035341) is 2,5-dichloro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide is O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide?
The InChIKey is KKMPDYCMJQYWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O2/c18-11-4-5-14(19)13(9-11)17(24)20-12-3-1-2-10(8-12)15-6-7-16(23)22-21-15/h1-9H,(H,20,24)(H,22,23).
What are the key properties of 2,5-dichloro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide?
2,5-dichloro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide has a molecular weight of 360.20 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 49035341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).