N-(4-carbamoyl-3-chlorophenyl)-6-chloropyridazine-3-carboxamide

C12H8Cl2N4O2 — CID 61051510

IUPACN-(4-carbamoyl-3-chlorophenyl)-6-chloropyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2ccc(Cl)nn2)cc1Cl
InChIInChI=1S/C12H8Cl2N4O2/c13-8-5-6(1-2-7(8)11(15)19)16-12(20)9-3-4-10(14)18-17-9/h1-5H,(H2,15,19)(H,16,20)
InChIKeyCQCVHLDGRXXEKQ-UHFFFAOYSA-N
MW311.13 g/mol
LogP2.13
Rot. Bonds3

About N-(4-carbamoyl-3-chlorophenyl)-6-chloropyridazine-3-carboxamide

N-(4-carbamoyl-3-chlorophenyl)-6-chloropyridazine-3-carboxamide (PubChem CID 61051510) has the molecular formula C12H8Cl2N4O2 and a molecular weight of 311.13 g/mol. Its IUPAC name is N-(4-carbamoyl-3-chlorophenyl)-6-chloropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-3-chlorophenyl)-6-chloropyridazine-3-carboxamide
PubChem CID61051510
Molecular FormulaC12H8Cl2N4O2
Molecular Weight311.13 g/mol
Exact Mass310.00
IUPAC NameN-(4-carbamoyl-3-chlorophenyl)-6-chloropyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2ccc(Cl)nn2)cc1Cl
InChIInChI=1S/C12H8Cl2N4O2/c13-8-5-6(1-2-7(8)11(15)19)16-12(20)9-3-4-10(14)18-17-9/h1-5H,(H2,15,19)(H,16,20)
InChIKeyCQCVHLDGRXXEKQ-UHFFFAOYSA-N
XLogP2.13
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.13
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(3,4-dichlorophenyl)pyridazine-3-carboxamide
CID 54926951
6-chloro-N-(4-chloro-3-fluorophenyl)pyridazine-3-carboxamide
CID 61042452
N-(4-carbamoyl-3-chlorophenyl)-4-chloropyridine-3-carboxamide
CID 81226788
N-(4-acetamidophenyl)-6-chloropyridazine-3-carboxamide
CID 60859038
4-[(2-amino-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 62057564
3-[(4-carbamoyl-3-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 56762366
6-chloro-N-(4-chloro-3-nitrophenyl)pyridazine-3-carboxamide
CID 61040906
4-amino-N-(4-carbamoyl-3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688148
N-(4-carbamoyl-3-chlorophenyl)thiophene-3-carboxamide
CID 39170420
6-chloro-N-(1H-indol-5-yl)pyridazine-3-carboxamide
CID 61250320
6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridazine-3-carboxamide
CID 61042126
6-chloropyridazine-3-carbohydrazide
CID 10080848

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-3-chlorophenyl)-6-chloropyridazine-3-carboxamide?
The IUPAC name of N-(4-carbamoyl-3-chlorophenyl)-6-chloropyridazine-3-carboxamide (CID 61051510) is N-(4-carbamoyl-3-chlorophenyl)-6-chloropyridazine-3-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-3-chlorophenyl)-6-chloropyridazine-3-carboxamide?
The canonical SMILES for N-(4-carbamoyl-3-chlorophenyl)-6-chloropyridazine-3-carboxamide is NC(=O)c1ccc(NC(=O)c2ccc(Cl)nn2)cc1Cl.
What is the InChIKey of N-(4-carbamoyl-3-chlorophenyl)-6-chloropyridazine-3-carboxamide?
The InChIKey is CQCVHLDGRXXEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4O2/c13-8-5-6(1-2-7(8)11(15)19)16-12(20)9-3-4-10(14)18-17-9/h1-5H,(H2,15,19)(H,16,20).
What are the key properties of N-(4-carbamoyl-3-chlorophenyl)-6-chloropyridazine-3-carboxamide?
N-(4-carbamoyl-3-chlorophenyl)-6-chloropyridazine-3-carboxamide has a molecular weight of 311.13 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-3-chlorophenyl)-6-chloropyridazine-3-carboxamide is sourced from PubChem (CID 61051510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).