2-amino-N-(4-chloroanilino)-2-oxoethanimidoyl cyanide

C9H7ClN4O — CID 2814561

IUPAC2-amino-N-(4-chloroanilino)-2-oxoethanimidoyl cyanide
SMILESN#CC(=NNc1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C9H7ClN4O/c10-6-1-3-7(4-2-6)13-14-8(5-11)9(12)15/h1-4,13H,(H2,12,15)
InChIKeyWYWQKJMVDSLNCU-UHFFFAOYSA-N
MW222.64 g/mol
LogP1.12
Rot. Bonds3

About 2-amino-N-(4-chloroanilino)-2-oxoethanimidoyl cyanide

2-amino-N-(4-chloroanilino)-2-oxoethanimidoyl cyanide (PubChem CID 2814561) has the molecular formula C9H7ClN4O and a molecular weight of 222.64 g/mol. Its IUPAC name is 2-amino-N-(4-chloroanilino)-2-oxoethanimidoyl cyanide.

Molecular Properties

Compound Name2-amino-N-(4-chloroanilino)-2-oxoethanimidoyl cyanide
PubChem CID2814561
Molecular FormulaC9H7ClN4O
Molecular Weight222.64 g/mol
Exact Mass222.03
IUPAC Name2-amino-N-(4-chloroanilino)-2-oxoethanimidoyl cyanide
SMILESN#CC(=NNc1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C9H7ClN4O/c10-6-1-3-7(4-2-6)13-14-8(5-11)9(12)15/h1-4,13H,(H2,12,15)
InChIKeyWYWQKJMVDSLNCU-UHFFFAOYSA-N
XLogP1.12
TPSA91.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.64
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-N-(4-chloroanilino)-2-oxoethanimidoyl cyanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1E)-2-amino-2-oxo-N-(4-pyrimidin-2-ylanilino)ethanimidoyl cyanide
CID 167211260
(1E)-N-(4-chloroanilino)-2-oxo-2-pyrrolidin-1-ylethanimidoyl cyanide
CID 177461949
[1-amino-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoethylidene]-dipropylazanium
CID 3457445
N-(4-chloroanilino)-2-(2-cyclopentylidenehydrazinyl)-2-oxoethanimidoyl cyanide
CID 4249266
(1E)-2-amino-N-(2-chloro-4-iodoanilino)-2-oxoethanimidoyl cyanide
CID 87996914
2-amino-N-(2-chloro-4-iodoanilino)-2-oxoethanimidoyl cyanide
CID 86045353
(1E)-N-(4-chloroanilino)-1-methylsulfonylmethanimidoyl cyanide
CID 117063583
N-(3-chloro-4-fluoroanilino)-2-(4-chlorophenyl)-2-oxoethanimidoyl cyanide
CID 587095
ethyl 4-[[2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoacetyl]amino]benzoate
CID 155490539
(1E)-N-(3-acetylanilino)-2-amino-2-oxoethanimidoyl cyanide
CID 5392743
diethyl 2-[(2E)-2-[(4-chlorophenyl)hydrazinylidene]-2-cyano-1-phenylethylidene]propanedioate
CID 134868912
(1E)-2-(4-chlorophenyl)-N-(3-methylanilino)-2-oxoethanimidoyl cyanide
CID 5410446

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chloroanilino)-2-oxoethanimidoyl cyanide?
The IUPAC name of 2-amino-N-(4-chloroanilino)-2-oxoethanimidoyl cyanide (CID 2814561) is 2-amino-N-(4-chloroanilino)-2-oxoethanimidoyl cyanide.
What is the SMILES notation for 2-amino-N-(4-chloroanilino)-2-oxoethanimidoyl cyanide?
The canonical SMILES for 2-amino-N-(4-chloroanilino)-2-oxoethanimidoyl cyanide is N#CC(=NNc1ccc(Cl)cc1)C(N)=O.
What is the InChIKey of 2-amino-N-(4-chloroanilino)-2-oxoethanimidoyl cyanide?
The InChIKey is WYWQKJMVDSLNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O/c10-6-1-3-7(4-2-6)13-14-8(5-11)9(12)15/h1-4,13H,(H2,12,15).
What are the key properties of 2-amino-N-(4-chloroanilino)-2-oxoethanimidoyl cyanide?
2-amino-N-(4-chloroanilino)-2-oxoethanimidoyl cyanide has a molecular weight of 222.64 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-chloroanilino)-2-oxoethanimidoyl cyanide is sourced from PubChem (CID 2814561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).