2-[4-[4-[[amino-(hydroxyamino)methylidene]amino]benzoyl]phenyl]-1-hydroxyguanidine

C15H16N6O3 — CID 71521361

IUPAC2-[4-[4-[[amino-(hydroxyamino)methylidene]amino]benzoyl]phenyl]-1-hydroxyguanidine
SMILESN/C(=N\c1ccc(C(=O)c2ccc(/N=C(\N)NO)cc2)cc1)NO
InChIInChI=1S/C15H16N6O3/c16-14(20-23)18-11-5-1-9(2-6-11)13(22)10-3-7-12(8-4-10)19-15(17)21-24/h1-8,23-24H,(H3,16,18,20)(H3,17,19,21)
InChIKeyANLDSNHICZMFKH-UHFFFAOYSA-N
MW328.33 g/mol
LogP0.77
Rot. Bonds4

About 2-[4-[4-[[amino-(hydroxyamino)methylidene]amino]benzoyl]phenyl]-1-hydroxyguanidine

2-[4-[4-[[amino-(hydroxyamino)methylidene]amino]benzoyl]phenyl]-1-hydroxyguanidine (PubChem CID 71521361) has the molecular formula C15H16N6O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is 2-[4-[4-[[amino-(hydroxyamino)methylidene]amino]benzoyl]phenyl]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[4-[4-[[amino-(hydroxyamino)methylidene]amino]benzoyl]phenyl]-1-hydroxyguanidine
PubChem CID71521361
Molecular FormulaC15H16N6O3
Molecular Weight328.33 g/mol
Exact Mass328.13
IUPAC Name2-[4-[4-[[amino-(hydroxyamino)methylidene]amino]benzoyl]phenyl]-1-hydroxyguanidine
SMILESN/C(=N\c1ccc(C(=O)c2ccc(/N=C(\N)NO)cc2)cc1)NO
InChIInChI=1S/C15H16N6O3/c16-14(20-23)18-11-5-1-9(2-6-11)13(22)10-3-7-12(8-4-10)19-15(17)21-24/h1-8,23-24H,(H3,16,18,20)(H3,17,19,21)
InChIKeyANLDSNHICZMFKH-UHFFFAOYSA-N
XLogP0.77
TPSA158.35 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.33
LogP ≤ 50.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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-[4-[4-(diaminomethylideneamino)benzoyl]phenyl]guanidine;dihydrochloride
CID 90664982
2-[4-[2-[4-[[amino-(hydroxyamino)methylidene]amino]phenyl]ethyl]phenyl]-1-hydroxyguanidine;hydrochloride
CID 71717582
4-[1-(hydroxyamino)ethylideneamino]benzamide
CID 19022969
1-hydroxy-2-phenylguanidine;nitric acid
CID 173298305
2-[3-[4-(diaminomethylideneamino)benzoyl]phenyl]guanidine
CID 90644413
4-(diaminomethylideneamino)benzamide
CID 12818149
2-(3-bromo-4-fluorophenyl)-1-hydroxyguanidine
CID 104781658
[N'-(4-methylphenyl)carbamimidoyl]urea
CID 135406039
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxyguanidine
CID 62481468
2-chloro-N'-[4-(3,4-dimethylbenzoyl)phenyl]ethanimidamide
CID 169368563
4-(diaminomethylideneamino)benzoic acid;hydron;chloride
CID 46863877
methyl 4-[[amino-(cyanoamino)methylidene]amino]benzoate
CID 142011406

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[[amino-(hydroxyamino)methylidene]amino]benzoyl]phenyl]-1-hydroxyguanidine?
The IUPAC name of 2-[4-[4-[[amino-(hydroxyamino)methylidene]amino]benzoyl]phenyl]-1-hydroxyguanidine (CID 71521361) is 2-[4-[4-[[amino-(hydroxyamino)methylidene]amino]benzoyl]phenyl]-1-hydroxyguanidine.
What is the SMILES notation for 2-[4-[4-[[amino-(hydroxyamino)methylidene]amino]benzoyl]phenyl]-1-hydroxyguanidine?
The canonical SMILES for 2-[4-[4-[[amino-(hydroxyamino)methylidene]amino]benzoyl]phenyl]-1-hydroxyguanidine is N/C(=N\c1ccc(C(=O)c2ccc(/N=C(\N)NO)cc2)cc1)NO.
What is the InChIKey of 2-[4-[4-[[amino-(hydroxyamino)methylidene]amino]benzoyl]phenyl]-1-hydroxyguanidine?
The InChIKey is ANLDSNHICZMFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3/c16-14(20-23)18-11-5-1-9(2-6-11)13(22)10-3-7-12(8-4-10)19-15(17)21-24/h1-8,23-24H,(H3,16,18,20)(H3,17,19,21).
What are the key properties of 2-[4-[4-[[amino-(hydroxyamino)methylidene]amino]benzoyl]phenyl]-1-hydroxyguanidine?
2-[4-[4-[[amino-(hydroxyamino)methylidene]amino]benzoyl]phenyl]-1-hydroxyguanidine has a molecular weight of 328.33 g/mol, XLogP of 0.77, 4 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[[amino-(hydroxyamino)methylidene]amino]benzoyl]phenyl]-1-hydroxyguanidine is sourced from PubChem (CID 71521361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).