N-(2-amino-5-chlorophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide

C11H8Cl2N4O2 — CID 86611605

IUPACN-(2-amino-5-chlorophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide
SMILESNc1ccc(Cl)cc1NC(=O)c1cc(Cl)n[nH]c1=O
InChIInChI=1S/C11H8Cl2N4O2/c12-5-1-2-7(14)8(3-5)15-10(18)6-4-9(13)16-17-11(6)19/h1-4H,14H2,(H,15,18)(H,17,19)
InChIKeyCZSBWNLTUQFHRK-UHFFFAOYSA-N
MW299.12 g/mol
LogP1.91
Rot. Bonds2

About N-(2-amino-5-chlorophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide

N-(2-amino-5-chlorophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 86611605) has the molecular formula C11H8Cl2N4O2 and a molecular weight of 299.12 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide
PubChem CID86611605
Molecular FormulaC11H8Cl2N4O2
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC NameN-(2-amino-5-chlorophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide
SMILESNc1ccc(Cl)cc1NC(=O)c1cc(Cl)n[nH]c1=O
InChIInChI=1S/C11H8Cl2N4O2/c12-5-1-2-7(14)8(3-5)15-10(18)6-4-9(13)16-17-11(6)19/h1-4H,14H2,(H,15,18)(H,17,19)
InChIKeyCZSBWNLTUQFHRK-UHFFFAOYSA-N
XLogP1.91
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide
CID 86611609
N-(2-amino-5-chlorophenyl)-5-chloro-2-methylbenzamide
CID 82880207
N-(2-amino-5-fluorophenyl)-5-chloro-2-fluorobenzamide
CID 63257209
N-(2-amino-5-chlorophenyl)-4-chlorobenzamide
CID 16771665
N-(2-amino-5-chlorophenyl)-2,5-dimethylbenzamide
CID 18072338
N-(2-amino-5-chlorophenyl)-2,5-dibromobenzamide
CID 114367618
N-(2-amino-5-chlorophenyl)-5-bromo-2-fluorobenzamide
CID 24699699
N-(2-amino-5-chlorophenyl)-3-chloro-2-methylbenzamide
CID 107095714
N-(2-amino-5-fluorophenyl)-5-chloro-2-methylbenzamide
CID 82881025
N-(2-amino-5-chlorophenyl)-5-bromo-2-methylbenzamide
CID 65306711
N-(2-amino-5-chlorophenyl)-4-hydroxybenzamide
CID 18070438
N-(2-amino-5-chlorophenyl)-3-bromo-2-fluorobenzamide
CID 107948709

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide (CID 86611605) is N-(2-amino-5-chlorophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide is Nc1ccc(Cl)cc1NC(=O)c1cc(Cl)n[nH]c1=O.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is CZSBWNLTUQFHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4O2/c12-5-1-2-7(14)8(3-5)15-10(18)6-4-9(13)16-17-11(6)19/h1-4H,14H2,(H,15,18)(H,17,19).
What are the key properties of N-(2-amino-5-chlorophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide?
N-(2-amino-5-chlorophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 299.12 g/mol, XLogP of 1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 86611605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).