[2-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium

C12H16Cl2N3O+ — CID 5474227

IUPAC[2-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
SMILESC[N+](C)(C)CC(=O)N/N=C\c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2N3O/c1-17(2,3)8-12(18)16-15-7-9-4-5-10(13)11(14)6-9/h4-7H,8H2,1-3H3/p+1/b15-7-
InChIKeyBZXRNTVNPSZQTQ-CHHVJCJISA-O
MW289.19 g/mol
LogP2.15
Rot. Bonds4

About [2-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium

[2-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium (PubChem CID 5474227) has the molecular formula C12H16Cl2N3O+ and a molecular weight of 289.19 g/mol. Its IUPAC name is [2-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium.

Molecular Properties

Compound Name[2-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
PubChem CID5474227
Molecular FormulaC12H16Cl2N3O+
Molecular Weight289.19 g/mol
Exact Mass288.07
IUPAC Name[2-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
SMILESC[N+](C)(C)CC(=O)N/N=C\c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2N3O/c1-17(2,3)8-12(18)16-15-7-9-4-5-10(13)11(14)6-9/h4-7H,8H2,1-3H3/p+1/b15-7-
InChIKeyBZXRNTVNPSZQTQ-CHHVJCJISA-O
XLogP2.15
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(3,4-dichlorophenyl)methylideneamino]hexanediamide
CID 4104627
2-(4-chlorophenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 93224601
trimethyl-[2-oxo-2-[(2Z)-2-[[4-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]-N-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]phenyl]anilino]phenyl]methylidene]hydrazinyl]ethyl]azanium
CID 132568696
2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 19189648
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 7428714
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133170937
ethyl N-[(Z)-(3,4-dichlorophenyl)methylideneamino]carbamate
CID 5399198
ethyl N-[(E)-(3,4-dichlorophenyl)methylideneamino]carbamate
CID 6861622
trimethyl-[2-oxo-2-[(2Z)-2-[(3-sulfophenyl)methylidene]hydrazinyl]ethyl]azanium
CID 5474238
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 5437380
N-[(3,4-dichlorophenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 4111290
[2-[(2Z)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
CID 135422189

Frequently Asked Questions

What is the IUPAC name of [2-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium?
The IUPAC name of [2-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium (CID 5474227) is [2-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium.
What is the SMILES notation for [2-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium?
The canonical SMILES for [2-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium is C[N+](C)(C)CC(=O)N/N=C\c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [2-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium?
The InChIKey is BZXRNTVNPSZQTQ-CHHVJCJISA-O. The full InChI is InChI=1S/C12H15Cl2N3O/c1-17(2,3)8-12(18)16-15-7-9-4-5-10(13)11(14)6-9/h4-7H,8H2,1-3H3/p+1/b15-7-.
What are the key properties of [2-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium?
[2-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium has a molecular weight of 289.19 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium is sourced from PubChem (CID 5474227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).