2-(5-aminotetrazol-2-yl)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide

C10H9Cl2N7O — CID 948248

IUPAC2-(5-aminotetrazol-2-yl)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
SMILESNc1nnn(CC(=O)NN=Cc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C10H9Cl2N7O/c11-7-2-1-6(8(12)3-7)4-14-15-9(20)5-19-17-10(13)16-18-19/h1-4H,5H2,(H2,13,17)(H,15,20)
InChIKeyCKUVDVXYYBSALD-UHFFFAOYSA-N
MW314.14 g/mol
LogP0.71
Rot. Bonds4

About 2-(5-aminotetrazol-2-yl)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide

2-(5-aminotetrazol-2-yl)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide (PubChem CID 948248) has the molecular formula C10H9Cl2N7O and a molecular weight of 314.14 g/mol. Its IUPAC name is 2-(5-aminotetrazol-2-yl)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-2-yl)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
PubChem CID948248
Molecular FormulaC10H9Cl2N7O
Molecular Weight314.14 g/mol
Exact Mass313.02
IUPAC Name2-(5-aminotetrazol-2-yl)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
SMILESNc1nnn(CC(=O)NN=Cc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C10H9Cl2N7O/c11-7-2-1-6(8(12)3-7)4-14-15-9(20)5-19-17-10(13)16-18-19/h1-4H,5H2,(H2,13,17)(H,15,20)
InChIKeyCKUVDVXYYBSALD-UHFFFAOYSA-N
XLogP0.71
TPSA111.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.14
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2-(5-aminotetrazol-2-yl)-N-[(2-fluorophenyl)methylideneamino]acetamide
CID 948163
2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 5424495
2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 5424503
2-(5-aminotetrazol-2-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 947907
2-(5-aminotetrazol-2-yl)-N-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 6884699
N-[(2,4-dichlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 937151
N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide
CID 4154213
2-(5-aminotetrazol-2-yl)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 948256
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5411350
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 96890236
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-2-yl)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(5-aminotetrazol-2-yl)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide (CID 948248) is 2-(5-aminotetrazol-2-yl)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-2-yl)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-aminotetrazol-2-yl)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide is Nc1nnn(CC(=O)NN=Cc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2-(5-aminotetrazol-2-yl)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide?
The InChIKey is CKUVDVXYYBSALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N7O/c11-7-2-1-6(8(12)3-7)4-14-15-9(20)5-19-17-10(13)16-18-19/h1-4H,5H2,(H2,13,17)(H,15,20).
What are the key properties of 2-(5-aminotetrazol-2-yl)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide?
2-(5-aminotetrazol-2-yl)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide has a molecular weight of 314.14 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-2-yl)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 948248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).