[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate

C14H13Cl2N3O4 — CID 7194856

IUPAC[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
SMILESC[C@@H](OC(=O)C1=NNC(=O)CC1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H13Cl2N3O4/c1-7(23-14(22)11-2-3-12(20)19-18-11)13(21)17-10-5-8(15)4-9(16)6-10/h4-7H,2-3H2,1H3,(H,17,21)(H,19,20)/t7-/m1/s1
InChIKeyPYEXLWSGEGBYTM-SSDOTTSWSA-N
MW358.18 g/mol
LogP2.13
Rot. Bonds4

About [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate

[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate (PubChem CID 7194856) has the molecular formula C14H13Cl2N3O4 and a molecular weight of 358.18 g/mol. Its IUPAC name is [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
PubChem CID7194856
Molecular FormulaC14H13Cl2N3O4
Molecular Weight358.18 g/mol
Exact Mass357.03
IUPAC Name[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
SMILESC[C@@H](OC(=O)C1=NNC(=O)CC1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H13Cl2N3O4/c1-7(23-14(22)11-2-3-12(20)19-18-11)13(21)17-10-5-8(15)4-9(16)6-10/h4-7H,2-3H2,1H3,(H,17,21)(H,19,20)/t7-/m1/s1
InChIKeyPYEXLWSGEGBYTM-SSDOTTSWSA-N
XLogP2.13
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate with MolForge

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Related Compounds

[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7211340
[(2R)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7720747
[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7194863
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7202549
[(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 51968652
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 7825484
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 7825485
[1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 3,4,5-trihydroxybenzoate
CID 23996367
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 2396184
[(2R)-1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7148844
[1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
CID 5123000
[(1S)-1-(2-chlorophenyl)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7211452

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The IUPAC name of [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate (CID 7194856) is [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate.
What is the SMILES notation for [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The canonical SMILES for [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate is C[C@@H](OC(=O)C1=NNC(=O)CC1)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The InChIKey is PYEXLWSGEGBYTM-SSDOTTSWSA-N. The full InChI is InChI=1S/C14H13Cl2N3O4/c1-7(23-14(22)11-2-3-12(20)19-18-11)13(21)17-10-5-8(15)4-9(16)6-10/h4-7H,2-3H2,1H3,(H,17,21)(H,19,20)/t7-/m1/s1.
What are the key properties of [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate has a molecular weight of 358.18 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate is sourced from PubChem (CID 7194856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).