1-[(4-chlorophenyl)methylidene]-2-cyanoguanidine

C9H7ClN4 — CID 27109231

IUPAC1-[(4-chlorophenyl)methylidene]-2-cyanoguanidine
SMILESN#C/N=C(\N)N=Cc1ccc(Cl)cc1
InChIInChI=1S/C9H7ClN4/c10-8-3-1-7(2-4-8)5-13-9(12)14-6-11/h1-5H,(H2,12,14)
InChIKeyDSJRSJHEYZEDNI-UHFFFAOYSA-N
MW206.64 g/mol
LogP1.55
Rot. Bonds1

About 1-[(4-chlorophenyl)methylidene]-2-cyanoguanidine

1-[(4-chlorophenyl)methylidene]-2-cyanoguanidine (PubChem CID 27109231) has the molecular formula C9H7ClN4 and a molecular weight of 206.64 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methylidene]-2-cyanoguanidine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methylidene]-2-cyanoguanidine
PubChem CID27109231
Molecular FormulaC9H7ClN4
Molecular Weight206.64 g/mol
Exact Mass206.04
IUPAC Name1-[(4-chlorophenyl)methylidene]-2-cyanoguanidine
SMILESN#C/N=C(\N)N=Cc1ccc(Cl)cc1
InChIInChI=1S/C9H7ClN4/c10-8-3-1-7(2-4-8)5-13-9(12)14-6-11/h1-5H,(H2,12,14)
InChIKeyDSJRSJHEYZEDNI-UHFFFAOYSA-N
XLogP1.55
TPSA74.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.64
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[chloro-[(E)-(4-chlorophenyl)methylideneamino]methylidene]propanedinitrile
CID 134921147
(4-chlorophenyl) N'-cyanocarbamimidate
CID 12870881
1-[(4-chlorophenyl)methylidene]-2-(1H-1,2,4-triazol-5-yl)guanidine
CID 131856449
CID 172941482
CID 172941482
(E)-3-(4-chlorophenyl)-N'-hydroxyprop-2-enimidamide;hydrate
CID 173457172
carbanide;(NE)-N-[(4-chlorophenyl)methylidene]hydroxylamine;yttrium
CID 178127818
[(4-chlorophenyl)methylideneamino] acetate
CID 57215525
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
2-[(E)-(4-chlorophenyl)methylideneamino]-1-hydroxyguanidine
CID 173023950
2-[(E)-(4-chlorophenyl)methylideneamino]-1,1-dimethylguanidine
CID 13451350
CID 10012124
CID 10012124
1-[(4-chlorophenyl)methylideneamino]-2-[(E)-(4-chlorophenyl)methylideneamino]guanidine
CID 137091125

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methylidene]-2-cyanoguanidine?
The IUPAC name of 1-[(4-chlorophenyl)methylidene]-2-cyanoguanidine (CID 27109231) is 1-[(4-chlorophenyl)methylidene]-2-cyanoguanidine.
What is the SMILES notation for 1-[(4-chlorophenyl)methylidene]-2-cyanoguanidine?
The canonical SMILES for 1-[(4-chlorophenyl)methylidene]-2-cyanoguanidine is N#C/N=C(\N)N=Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methylidene]-2-cyanoguanidine?
The InChIKey is DSJRSJHEYZEDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4/c10-8-3-1-7(2-4-8)5-13-9(12)14-6-11/h1-5H,(H2,12,14).
What are the key properties of 1-[(4-chlorophenyl)methylidene]-2-cyanoguanidine?
1-[(4-chlorophenyl)methylidene]-2-cyanoguanidine has a molecular weight of 206.64 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methylidene]-2-cyanoguanidine is sourced from PubChem (CID 27109231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).