N-[amino(chloro)methylidene]-N'-ethylcarbamimidoyl chloride

C4H7Cl2N3 — CID 91143511

IUPACN-[amino(chloro)methylidene]-N'-ethylcarbamimidoyl chloride
SMILESCC/N=C(\Cl)N=C(N)Cl
InChIInChI=1S/C4H7Cl2N3/c1-2-8-4(6)9-3(5)7/h2H2,1H3,(H2,7,8,9)
InChIKeyVFMKHCJNZOZVDV-UHFFFAOYSA-N
MW168.03 g/mol
LogP1.15
Rot. Bonds1

About N-[amino(chloro)methylidene]-N'-ethylcarbamimidoyl chloride

N-[amino(chloro)methylidene]-N'-ethylcarbamimidoyl chloride (PubChem CID 91143511) has the molecular formula C4H7Cl2N3 and a molecular weight of 168.03 g/mol. Its IUPAC name is N-[amino(chloro)methylidene]-N'-ethylcarbamimidoyl chloride.

Molecular Properties

Compound NameN-[amino(chloro)methylidene]-N'-ethylcarbamimidoyl chloride
PubChem CID91143511
Molecular FormulaC4H7Cl2N3
Molecular Weight168.03 g/mol
Exact Mass167.00
IUPAC NameN-[amino(chloro)methylidene]-N'-ethylcarbamimidoyl chloride
SMILESCC/N=C(\Cl)N=C(N)Cl
InChIInChI=1S/C4H7Cl2N3/c1-2-8-4(6)9-3(5)7/h2H2,1H3,(H2,7,8,9)
InChIKeyVFMKHCJNZOZVDV-UHFFFAOYSA-N
XLogP1.15
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.03
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[amino(chloro)methylidene]-N'-ethylcarbamimidoyl chloride?
The IUPAC name of N-[amino(chloro)methylidene]-N'-ethylcarbamimidoyl chloride (CID 91143511) is N-[amino(chloro)methylidene]-N'-ethylcarbamimidoyl chloride.
What is the SMILES notation for N-[amino(chloro)methylidene]-N'-ethylcarbamimidoyl chloride?
The canonical SMILES for N-[amino(chloro)methylidene]-N'-ethylcarbamimidoyl chloride is CC/N=C(\Cl)N=C(N)Cl.
What is the InChIKey of N-[amino(chloro)methylidene]-N'-ethylcarbamimidoyl chloride?
The InChIKey is VFMKHCJNZOZVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Cl2N3/c1-2-8-4(6)9-3(5)7/h2H2,1H3,(H2,7,8,9).
What are the key properties of N-[amino(chloro)methylidene]-N'-ethylcarbamimidoyl chloride?
N-[amino(chloro)methylidene]-N'-ethylcarbamimidoyl chloride has a molecular weight of 168.03 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(chloro)methylidene]-N'-ethylcarbamimidoyl chloride is sourced from PubChem (CID 91143511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).