2-(3-chloroanilino)-1-oxoguanidine

C7H7ClN4O — CID 46183330

IUPAC2-(3-chloroanilino)-1-oxoguanidine
SMILESN/C(N=O)=N\Nc1cccc(Cl)c1
InChIInChI=1S/C7H7ClN4O/c8-5-2-1-3-6(4-5)10-11-7(9)12-13/h1-4,10H,(H2,9,11)
InChIKeyMYDHIFAFNGFUIK-UHFFFAOYSA-N
MW198.61 g/mol
LogP1.75
Rot. Bonds2

About 2-(3-chloroanilino)-1-oxoguanidine

2-(3-chloroanilino)-1-oxoguanidine (PubChem CID 46183330) has the molecular formula C7H7ClN4O and a molecular weight of 198.61 g/mol. Its IUPAC name is 2-(3-chloroanilino)-1-oxoguanidine.

Molecular Properties

Compound Name2-(3-chloroanilino)-1-oxoguanidine
PubChem CID46183330
Molecular FormulaC7H7ClN4O
Molecular Weight198.61 g/mol
Exact Mass198.03
IUPAC Name2-(3-chloroanilino)-1-oxoguanidine
SMILESN/C(N=O)=N\Nc1cccc(Cl)c1
InChIInChI=1S/C7H7ClN4O/c8-5-2-1-3-6(4-5)10-11-7(9)12-13/h1-4,10H,(H2,9,11)
InChIKeyMYDHIFAFNGFUIK-UHFFFAOYSA-N
XLogP1.75
TPSA79.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 51.75
H-Bond Donors ≤ 52
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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Related Compounds

2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile
CID 2603
(1Z)-2-(3-chloroanilino)-N-(3-chlorophenyl)-2-oxoethanehydrazonoyl chloride
CID 10882442
(2Z)-2-[(3-chlorophenyl)hydrazinylidene]-1,2-diphenylethanone
CID 6172850
3-chloro-N-[1-(2,4-dichlorophenyl)ethylideneamino]aniline
CID 3541372
(3-chlorophenyl)thiourea
CID 2734794
ethyl (2E)-2-[(3-chlorophenyl)hydrazinylidene]but-3-enoate
CID 118946084
(2E)-2-[(3-chlorophenyl)hydrazinylidene]-3-morpholin-4-yl-3-oxopropanethioamide
CID 6532729
3-chloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]aniline
CID 4224641
ethyl (1E)-N-(3-chlorophenyl)-2-cyclopropyl-2-oxoethanehydrazonate
CID 134110614
(1E)-N-(3-chloroanilino)-2-cyclopropyl-2-oxoethanimidoyl cyanide
CID 56693581
4-chloro-2-[(Z)-N-(3-chloroanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 90733537
(3-chlorophenyl)hydrazine;dihydrochloride
CID 53402731

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-1-oxoguanidine?
The IUPAC name of 2-(3-chloroanilino)-1-oxoguanidine (CID 46183330) is 2-(3-chloroanilino)-1-oxoguanidine.
What is the SMILES notation for 2-(3-chloroanilino)-1-oxoguanidine?
The canonical SMILES for 2-(3-chloroanilino)-1-oxoguanidine is N/C(N=O)=N\Nc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chloroanilino)-1-oxoguanidine?
The InChIKey is MYDHIFAFNGFUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4O/c8-5-2-1-3-6(4-5)10-11-7(9)12-13/h1-4,10H,(H2,9,11).
What are the key properties of 2-(3-chloroanilino)-1-oxoguanidine?
2-(3-chloroanilino)-1-oxoguanidine has a molecular weight of 198.61 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-1-oxoguanidine is sourced from PubChem (CID 46183330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).