1-chloro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclobutane-1-carboxamide

C15H14ClN3O2 — CID 70518361

IUPAC1-chloro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclobutane-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(=O)[nH]n2)cc1)C1(Cl)CCC1
InChIInChI=1S/C15H14ClN3O2/c16-15(8-1-9-15)14(21)17-11-4-2-10(3-5-11)12-6-7-13(20)19-18-12/h2-7H,1,8-9H2,(H,17,21)(H,19,20)
InChIKeyUVMIHMRVSAKWNL-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.54
Rot. Bonds3

About 1-chloro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclobutane-1-carboxamide

1-chloro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclobutane-1-carboxamide (PubChem CID 70518361) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 1-chloro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-chloro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclobutane-1-carboxamide
PubChem CID70518361
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name1-chloro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclobutane-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(=O)[nH]n2)cc1)C1(Cl)CCC1
InChIInChI=1S/C15H14ClN3O2/c16-15(8-1-9-15)14(21)17-11-4-2-10(3-5-11)12-6-7-13(20)19-18-12/h2-7H,1,8-9H2,(H,17,21)(H,19,20)
InChIKeyUVMIHMRVSAKWNL-UHFFFAOYSA-N
XLogP2.54
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-chloro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclobutane-1-carboxamide (CID 70518361) is 1-chloro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-chloro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-chloro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclobutane-1-carboxamide is O=C(Nc1ccc(-c2ccc(=O)[nH]n2)cc1)C1(Cl)CCC1.
What is the InChIKey of 1-chloro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclobutane-1-carboxamide?
The InChIKey is UVMIHMRVSAKWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-15(8-1-9-15)14(21)17-11-4-2-10(3-5-11)12-6-7-13(20)19-18-12/h2-7H,1,8-9H2,(H,17,21)(H,19,20).
What are the key properties of 1-chloro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclobutane-1-carboxamide?
1-chloro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclobutane-1-carboxamide has a molecular weight of 303.75 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 70518361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).