N'-(4-chloroanilino)-N-oxomethanimidamide

C7H6ClN3O — CID 177383654

IUPACN'-(4-chloroanilino)-N-oxomethanimidamide
SMILESO=N/C=N/Nc1ccc(Cl)cc1
InChIInChI=1S/C7H6ClN3O/c8-6-1-3-7(4-2-6)11-9-5-10-12/h1-5,11H/b9-5+
InChIKeyXJMJNYIHYKIOAU-WEVVVXLNSA-N
MW183.60 g/mol
LogP2.46
Rot. Bonds3

About N'-(4-chloroanilino)-N-oxomethanimidamide

N'-(4-chloroanilino)-N-oxomethanimidamide (PubChem CID 177383654) has the molecular formula C7H6ClN3O and a molecular weight of 183.60 g/mol. Its IUPAC name is N'-(4-chloroanilino)-N-oxomethanimidamide.

Molecular Properties

Compound NameN'-(4-chloroanilino)-N-oxomethanimidamide
PubChem CID177383654
Molecular FormulaC7H6ClN3O
Molecular Weight183.60 g/mol
Exact Mass183.02
IUPAC NameN'-(4-chloroanilino)-N-oxomethanimidamide
SMILESO=N/C=N/Nc1ccc(Cl)cc1
InChIInChI=1S/C7H6ClN3O/c8-6-1-3-7(4-2-6)11-9-5-10-12/h1-5,11H/b9-5+
InChIKeyXJMJNYIHYKIOAU-WEVVVXLNSA-N
XLogP2.46
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.60
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-(4-chloroanilino)-N-oxomethanimidamide?
The IUPAC name of N'-(4-chloroanilino)-N-oxomethanimidamide (CID 177383654) is N'-(4-chloroanilino)-N-oxomethanimidamide.
What is the SMILES notation for N'-(4-chloroanilino)-N-oxomethanimidamide?
The canonical SMILES for N'-(4-chloroanilino)-N-oxomethanimidamide is O=N/C=N/Nc1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chloroanilino)-N-oxomethanimidamide?
The InChIKey is XJMJNYIHYKIOAU-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H6ClN3O/c8-6-1-3-7(4-2-6)11-9-5-10-12/h1-5,11H/b9-5+.
What are the key properties of N'-(4-chloroanilino)-N-oxomethanimidamide?
N'-(4-chloroanilino)-N-oxomethanimidamide has a molecular weight of 183.60 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloroanilino)-N-oxomethanimidamide is sourced from PubChem (CID 177383654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).