[[N'-[(3,5-dichlorophenyl)methylideneamino]carbamimidoyl]amino] acetate

C10H10Cl2N4O2 — CID 91464433

IUPAC[[N'-[(3,5-dichlorophenyl)methylideneamino]carbamimidoyl]amino] acetate
SMILESCC(=O)ONC(N)=NN=Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H10Cl2N4O2/c1-6(17)18-16-10(13)15-14-5-7-2-8(11)4-9(12)3-7/h2-5H,1H3,(H3,13,15,16)
InChIKeyKZHMIIMOCPJIKM-UHFFFAOYSA-N
MW289.12 g/mol
LogP1.71
Rot. Bonds2

About [[N'-[(3,5-dichlorophenyl)methylideneamino]carbamimidoyl]amino] acetate

[[N'-[(3,5-dichlorophenyl)methylideneamino]carbamimidoyl]amino] acetate (PubChem CID 91464433) has the molecular formula C10H10Cl2N4O2 and a molecular weight of 289.12 g/mol. Its IUPAC name is [[N'-[(3,5-dichlorophenyl)methylideneamino]carbamimidoyl]amino] acetate.

Molecular Properties

Compound Name[[N'-[(3,5-dichlorophenyl)methylideneamino]carbamimidoyl]amino] acetate
PubChem CID91464433
Molecular FormulaC10H10Cl2N4O2
Molecular Weight289.12 g/mol
Exact Mass288.02
IUPAC Name[[N'-[(3,5-dichlorophenyl)methylideneamino]carbamimidoyl]amino] acetate
SMILESCC(=O)ONC(N)=NN=Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H10Cl2N4O2/c1-6(17)18-16-10(13)15-14-5-7-2-8(11)4-9(12)3-7/h2-5H,1H3,(H3,13,15,16)
InChIKeyKZHMIIMOCPJIKM-UHFFFAOYSA-N
XLogP1.71
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[N'-[(3,5-dichlorophenyl)methylideneamino]carbamimidoyl]amino] acetate?
The IUPAC name of [[N'-[(3,5-dichlorophenyl)methylideneamino]carbamimidoyl]amino] acetate (CID 91464433) is [[N'-[(3,5-dichlorophenyl)methylideneamino]carbamimidoyl]amino] acetate.
What is the SMILES notation for [[N'-[(3,5-dichlorophenyl)methylideneamino]carbamimidoyl]amino] acetate?
The canonical SMILES for [[N'-[(3,5-dichlorophenyl)methylideneamino]carbamimidoyl]amino] acetate is CC(=O)ONC(N)=NN=Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of [[N'-[(3,5-dichlorophenyl)methylideneamino]carbamimidoyl]amino] acetate?
The InChIKey is KZHMIIMOCPJIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4O2/c1-6(17)18-16-10(13)15-14-5-7-2-8(11)4-9(12)3-7/h2-5H,1H3,(H3,13,15,16).
What are the key properties of [[N'-[(3,5-dichlorophenyl)methylideneamino]carbamimidoyl]amino] acetate?
[[N'-[(3,5-dichlorophenyl)methylideneamino]carbamimidoyl]amino] acetate has a molecular weight of 289.12 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[N'-[(3,5-dichlorophenyl)methylideneamino]carbamimidoyl]amino] acetate is sourced from PubChem (CID 91464433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).