N-[2-(2-chloroanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide

C21H18ClFN4O3 — CID 38661301

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(C)CC(=O)Nc2ccccc2Cl)nn1-c1ccccc1F
InChIInChI=1S/C21H18ClFN4O3/c1-13-11-18(28)20(25-27(13)17-10-6-4-8-15(17)23)21(30)26(2)12-19(29)24-16-9-5-3-7-14(16)22/h3-11H,12H2,1-2H3,(H,24,29)
InChIKeyYRICDQWUPSKFJD-UHFFFAOYSA-N
MW428.85 g/mol
LogP3.04
Rot. Bonds5

About N-[2-(2-chloroanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide

N-[2-(2-chloroanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide (PubChem CID 38661301) has the molecular formula C21H18ClFN4O3 and a molecular weight of 428.85 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
PubChem CID38661301
Molecular FormulaC21H18ClFN4O3
Molecular Weight428.85 g/mol
Exact Mass428.11
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(C)CC(=O)Nc2ccccc2Cl)nn1-c1ccccc1F
InChIInChI=1S/C21H18ClFN4O3/c1-13-11-18(28)20(25-27(13)17-10-6-4-8-15(17)23)21(30)26(2)12-19(29)24-16-9-5-3-7-14(16)22/h3-11H,12H2,1-2H3,(H,24,29)
InChIKeyYRICDQWUPSKFJD-UHFFFAOYSA-N
XLogP3.04
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.85
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-bromoanilino)-2-oxoethyl]-1-(2-chlorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 27800958
N-[2-(3-fluoroanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 27794933
N-[(5-chlorothiophen-2-yl)methyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 51230221
1-(2-fluorophenyl)-N-(2-hydroxyethyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 110886119
N-(3-amino-2,2-dimethylpropyl)-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide;hydrochloride
CID 119654876
N-[(2,4-dimethylphenyl)methyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 18117120
1-(2-fluorophenyl)-N,6-dimethyl-4-oxo-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide
CID 24551624
1-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 18198033
N-[2-(3-chloroanilino)-2-oxoethyl]-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 33287591
1-(2-fluorophenyl)-N,6-dimethyl-N-[2-(2-methylphenoxy)ethyl]-4-oxopyridazine-3-carboxamide
CID 18120193
2,4-dichloro-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide
CID 38660284
1-(2-chlorophenyl)-N,6-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 8933859

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide (CID 38661301) is N-[2-(2-chloroanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)N(C)CC(=O)Nc2ccccc2Cl)nn1-c1ccccc1F.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide?
The InChIKey is YRICDQWUPSKFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN4O3/c1-13-11-18(28)20(25-27(13)17-10-6-4-8-15(17)23)21(30)26(2)12-19(29)24-16-9-5-3-7-14(16)22/h3-11H,12H2,1-2H3,(H,24,29).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide has a molecular weight of 428.85 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 38661301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).