N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide

C14H13ClN4O3 — CID 9409881

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C14H13ClN4O3/c1-19(14(22)11-6-7-12(20)18-17-11)8-13(21)16-10-5-3-2-4-9(10)15/h2-7H,8H2,1H3,(H,16,21)(H,18,20)
InChIKeyCNIUDBWYPVAYNR-UHFFFAOYSA-N
MW320.74 g/mol
LogP1.13
Rot. Bonds4

About N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide

N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 9409881) has the molecular formula C14H13ClN4O3 and a molecular weight of 320.74 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID9409881
Molecular FormulaC14H13ClN4O3
Molecular Weight320.74 g/mol
Exact Mass320.07
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C14H13ClN4O3/c1-19(14(22)11-6-7-12(20)18-17-11)8-13(21)16-10-5-3-2-4-9(10)15/h2-7H,8H2,1H3,(H,16,21)(H,18,20)
InChIKeyCNIUDBWYPVAYNR-UHFFFAOYSA-N
XLogP1.13
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide
CID 31713038
N-[2-(2-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 31971689
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 38661688
cis-(1S,2R)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 38635337
2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792
2,4-dichloro-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide
CID 38660284
methyl 3-[[2-(2-chloroanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 55789119
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-4-nitrobenzamide
CID 4875964
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 38660045
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 30795218
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate
CID 7851347
N-[2-(2-chloroanilino)-2-oxoethyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 78949699

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide (CID 9409881) is N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is CNIUDBWYPVAYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O3/c1-19(14(22)11-6-7-12(20)18-17-11)8-13(21)16-10-5-3-2-4-9(10)15/h2-7H,8H2,1H3,(H,16,21)(H,18,20).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 320.74 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 9409881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).