2-chloro-4-nitro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide

C19H15ClN4O4 — CID 41240837

IUPAC2-chloro-4-nitro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide
SMILESO=C(NCCn1nc(-c2ccccc2)ccc1=O)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C19H15ClN4O4/c20-16-12-14(24(27)28)6-7-15(16)19(26)21-10-11-23-18(25)9-8-17(22-23)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,21,26)
InChIKeyNHYGPCQDJURBKY-UHFFFAOYSA-N
MW398.81 g/mol
LogP2.90
Rot. Bonds6

About 2-chloro-4-nitro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide

2-chloro-4-nitro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide (PubChem CID 41240837) has the molecular formula C19H15ClN4O4 and a molecular weight of 398.81 g/mol. Its IUPAC name is 2-chloro-4-nitro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-nitro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide
PubChem CID41240837
Molecular FormulaC19H15ClN4O4
Molecular Weight398.81 g/mol
Exact Mass398.08
IUPAC Name2-chloro-4-nitro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide
SMILESO=C(NCCn1nc(-c2ccccc2)ccc1=O)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C19H15ClN4O4/c20-16-12-14(24(27)28)6-7-15(16)19(26)21-10-11-23-18(25)9-8-17(22-23)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,21,26)
InChIKeyNHYGPCQDJURBKY-UHFFFAOYSA-N
XLogP2.90
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.81
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-5-nitrobenzamide
CID 121058927
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-iodobenzamide
CID 18569757
2,4-dichloro-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 41241199
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-4,5-dimethoxy-2-nitrobenzamide
CID 41241068
3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide
CID 18569617
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-phenoxybenzamide
CID 121033316
1-benzyl-6-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyridazine-3-carboxamide
CID 121033347
2-chloro-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 8750879
2-[(3-nitrophenyl)methyl]-6-phenylpyridazin-3-one
CID 7659667
2-chloro-5-nitro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
CID 122280413
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121051682
2-chloro-N-(3-methylbutyl)-4-nitrobenzamide
CID 874406

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-nitro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-4-nitro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide (CID 41240837) is 2-chloro-4-nitro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-4-nitro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-4-nitro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide is O=C(NCCn1nc(-c2ccccc2)ccc1=O)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-4-nitro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide?
The InChIKey is NHYGPCQDJURBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O4/c20-16-12-14(24(27)28)6-7-15(16)19(26)21-10-11-23-18(25)9-8-17(22-23)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,21,26).
What are the key properties of 2-chloro-4-nitro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide?
2-chloro-4-nitro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide has a molecular weight of 398.81 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-nitro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 41240837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).