N-[(E)-(4-chlorophenyl)methylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide

C14H15ClN4O2 — CID 71597661

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide
SMILESCC1=NN(CC(=O)N/N=C/c2ccc(Cl)cc2)C(=O)CC1
InChIInChI=1S/C14H15ClN4O2/c1-10-2-7-14(21)19(18-10)9-13(20)17-16-8-11-3-5-12(15)6-4-11/h3-6,8H,2,7,9H2,1H3,(H,17,20)/b16-8+
InChIKeyOIWZFDJQDCTQHJ-LZYBPNLTSA-N
MW306.75 g/mol
LogP1.79
Rot. Bonds4

About N-[(E)-(4-chlorophenyl)methylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide

N-[(E)-(4-chlorophenyl)methylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide (PubChem CID 71597661) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide
PubChem CID71597661
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide
SMILESCC1=NN(CC(=O)N/N=C/c2ccc(Cl)cc2)C(=O)CC1
InChIInChI=1S/C14H15ClN4O2/c1-10-2-7-14(21)19(18-10)9-13(20)17-16-8-11-3-5-12(15)6-4-11/h3-6,8H,2,7,9H2,1H3,(H,17,20)/b16-8+
InChIKeyOIWZFDJQDCTQHJ-LZYBPNLTSA-N
XLogP1.79
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide
CID 5904279
N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 6375481
2-(azepan-1-yl)-N-[(E)-(4-chlorophenyl)methylideneamino]-2-oxoacetamide
CID 9593484
2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]-N-(3-methylbutyl)acetamide
CID 16034816
2-[3-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-YL]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 16034248
2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]-N-[3-(diisobutylamino)propyl]acetamide
CID 16034255
N-butyl-6-[2-(3-chlorobenzylidene)hydrazino]-6-oxohexanamide
CID 20846955
N-{3-[butyl(methyl)amino]propyl}-2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetamide
CID 20968222
(E)-N-(2-(2-(4-chlorobenzylidene)hydrazinyl)-2-oxoethyl)-2-phenylacetamide
CID 9677719
2-(4-chlorophenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]acetamide
CID 6065751
Piperidin-1-yl-acetic acid (4-chloro-benzylidene)-hydrazide
CID 9556842
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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide (CID 71597661) is N-[(E)-(4-chlorophenyl)methylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide is CC1=NN(CC(=O)N/N=C/c2ccc(Cl)cc2)C(=O)CC1.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide?
The InChIKey is OIWZFDJQDCTQHJ-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-10-2-7-14(21)19(18-10)9-13(20)17-16-8-11-3-5-12(15)6-4-11/h3-6,8H,2,7,9H2,1H3,(H,17,20)/b16-8+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide?
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide has a molecular weight of 306.75 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide is sourced from PubChem (CID 71597661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).