4-butoxy-N-(6-chloropyridazin-3-yl)benzamide

C15H16ClN3O2 — CID 115608608

IUPAC4-butoxy-N-(6-chloropyridazin-3-yl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(Cl)nn2)cc1
InChIInChI=1S/C15H16ClN3O2/c1-2-3-10-21-12-6-4-11(5-7-12)15(20)17-14-9-8-13(16)18-19-14/h4-9H,2-3,10H2,1H3,(H,17,19,20)
InChIKeyAYJLVKULYDEZJN-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.56
Rot. Bonds6

About 4-butoxy-N-(6-chloropyridazin-3-yl)benzamide

4-butoxy-N-(6-chloropyridazin-3-yl)benzamide (PubChem CID 115608608) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 4-butoxy-N-(6-chloropyridazin-3-yl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(6-chloropyridazin-3-yl)benzamide
PubChem CID115608608
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name4-butoxy-N-(6-chloropyridazin-3-yl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(Cl)nn2)cc1
InChIInChI=1S/C15H16ClN3O2/c1-2-3-10-21-12-6-4-11(5-7-12)15(20)17-14-9-8-13(16)18-19-14/h4-9H,2-3,10H2,1H3,(H,17,19,20)
InChIKeyAYJLVKULYDEZJN-UHFFFAOYSA-N
XLogP3.56
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-butoxy-N-(6-chloro-3-pyridinyl)benzamide
CID 54787952
4-butoxy-N-(2-chloro-4-pyridinyl)benzamide
CID 103606840
4-butoxy-N-(1,2-oxazol-3-yl)benzamide
CID 25236391
N-(6-chloropyridazin-3-yl)benzamide
CID 13125576
4-butoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 4936163
4-butoxy-N-(1H-pyrazol-5-yl)benzamide
CID 61393698
N-(6-chloropyridazin-3-yl)-4-(methylsulfonylmethyl)benzamide
CID 56805495
4-pentoxy-N-(thiatriazol-5-yl)benzamide
CID 19114286
N-(3,4-dichlorophenyl)-4-hexoxybenzamide
CID 4933556
4-butoxy-N-tert-butylbenzamide
CID 60643031
N-(3,5-dichlorophenyl)-4-heptoxybenzamide
CID 4950610
N-(3,5-dichlorophenyl)-4-hexoxybenzamide
CID 4933557

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(6-chloropyridazin-3-yl)benzamide?
The IUPAC name of 4-butoxy-N-(6-chloropyridazin-3-yl)benzamide (CID 115608608) is 4-butoxy-N-(6-chloropyridazin-3-yl)benzamide.
What is the SMILES notation for 4-butoxy-N-(6-chloropyridazin-3-yl)benzamide?
The canonical SMILES for 4-butoxy-N-(6-chloropyridazin-3-yl)benzamide is CCCCOc1ccc(C(=O)Nc2ccc(Cl)nn2)cc1.
What is the InChIKey of 4-butoxy-N-(6-chloropyridazin-3-yl)benzamide?
The InChIKey is AYJLVKULYDEZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-2-3-10-21-12-6-4-11(5-7-12)15(20)17-14-9-8-13(16)18-19-14/h4-9H,2-3,10H2,1H3,(H,17,19,20).
What are the key properties of 4-butoxy-N-(6-chloropyridazin-3-yl)benzamide?
4-butoxy-N-(6-chloropyridazin-3-yl)benzamide has a molecular weight of 305.77 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(6-chloropyridazin-3-yl)benzamide is sourced from PubChem (CID 115608608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).