6-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridazine-3-carboxamide

C13H10ClF2N3O — CID 61040801

IUPAC6-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(Cl)nn1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H10ClF2N3O/c1-7(8-2-3-9(15)10(16)6-8)17-13(20)11-4-5-12(14)19-18-11/h2-7H,1H3,(H,17,20)
InChIKeyGHDBOXNXGKVSAU-UHFFFAOYSA-N
MW297.69 g/mol
LogP2.90
Rot. Bonds3

About 6-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridazine-3-carboxamide

6-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridazine-3-carboxamide (PubChem CID 61040801) has the molecular formula C13H10ClF2N3O and a molecular weight of 297.69 g/mol. Its IUPAC name is 6-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridazine-3-carboxamide
PubChem CID61040801
Molecular FormulaC13H10ClF2N3O
Molecular Weight297.69 g/mol
Exact Mass297.05
IUPAC Name6-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(Cl)nn1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H10ClF2N3O/c1-7(8-2-3-9(15)10(16)6-8)17-13(20)11-4-5-12(14)19-18-11/h2-7H,1H3,(H,17,20)
InChIKeyGHDBOXNXGKVSAU-UHFFFAOYSA-N
XLogP2.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.69
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 61041832
6-chloro-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide
CID 51136210
6-amino-N-[1-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 62159582
2-amino-4-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 62073815
6-chloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 61042386
2-chloro-N-[1-(3,4-difluorophenyl)ethyl]propanamide
CID 43697344
N-[1-(3,4-difluorophenyl)ethyl]quinoxaline-2-carboxamide
CID 134013463
2-chloro-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 146985648
1-benzyl-N-[(1S)-1-(3,4-difluorophenyl)ethyl]triazole-4-carboxamide
CID 51646685
1-(3-chloro-4-fluorophenyl)ethylurea
CID 121418014
N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213221
4-(chloromethyl)-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 43697335

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridazine-3-carboxamide (CID 61040801) is 6-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridazine-3-carboxamide is CC(NC(=O)c1ccc(Cl)nn1)c1ccc(F)c(F)c1.
What is the InChIKey of 6-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridazine-3-carboxamide?
The InChIKey is GHDBOXNXGKVSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2N3O/c1-7(8-2-3-9(15)10(16)6-8)17-13(20)11-4-5-12(14)19-18-11/h2-7H,1H3,(H,17,20).
What are the key properties of 6-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridazine-3-carboxamide?
6-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridazine-3-carboxamide has a molecular weight of 297.69 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 61040801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).