N-[[amino-(2-benzoylhydrazinyl)methylidene]amino]benzamide

C15H15N5O2 — CID 154143836

IUPACN-[[amino-(2-benzoylhydrazinyl)methylidene]amino]benzamide
SMILESNC(=NNC(=O)c1ccccc1)NNC(=O)c1ccccc1
InChIInChI=1S/C15H15N5O2/c16-15(19-17-13(21)11-7-3-1-4-8-11)20-18-14(22)12-9-5-2-6-10-12/h1-10H,(H,17,21)(H,18,22)(H3,16,19,20)
InChIKeyUQPUWXJPBVGXMP-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.58
Rot. Bonds3

About N-[[amino-(2-benzoylhydrazinyl)methylidene]amino]benzamide

N-[[amino-(2-benzoylhydrazinyl)methylidene]amino]benzamide (PubChem CID 154143836) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[[amino-(2-benzoylhydrazinyl)methylidene]amino]benzamide.

Molecular Properties

Compound NameN-[[amino-(2-benzoylhydrazinyl)methylidene]amino]benzamide
PubChem CID154143836
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC NameN-[[amino-(2-benzoylhydrazinyl)methylidene]amino]benzamide
SMILESNC(=NNC(=O)c1ccccc1)NNC(=O)c1ccccc1
InChIInChI=1S/C15H15N5O2/c16-15(19-17-13(21)11-7-3-1-4-8-11)20-18-14(22)12-9-5-2-6-10-12/h1-10H,(H,17,21)(H,18,22)(H3,16,19,20)
InChIKeyUQPUWXJPBVGXMP-UHFFFAOYSA-N
XLogP0.58
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.58
H-Bond Donors ≤ 54
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-amino-1-benzamidoguanidine
CID 55280611
2-anilino-1-benzamidoguanidine
CID 154146821
N-[(Z)-[amino-[2-(pyridine-3-carbonyl)hydrazinyl]methylidene]amino]pyridine-3-carboxamide;trihydrochloride
CID 129009269
N-(diaminomethylideneamino)benzamide;hydrochloride
CID 156587607
benzamidothiourea
CID 781748
N-[(4-amino-4-oxobutan-2-ylidene)amino]benzamide
CID 3434794
N-[(E)-(1-amino-2-methoxyethylidene)amino]benzamide
CID 91616878
N-(pentan-3-ylideneamino)benzamide
CID 4611553
N-carbamoylbenzamide;urea
CID 157303801
N-[(Z)-[(2-formylhydrazinyl)-phenylmethylidene]amino]benzamide
CID 24974901
N-[(2,2,2-trifluoro-1-phenylethylidene)amino]benzamide
CID 129248931
N-(1,3-diphenylpropan-2-ylideneamino)benzamide
CID 5109505

Frequently Asked Questions

What is the IUPAC name of N-[[amino-(2-benzoylhydrazinyl)methylidene]amino]benzamide?
The IUPAC name of N-[[amino-(2-benzoylhydrazinyl)methylidene]amino]benzamide (CID 154143836) is N-[[amino-(2-benzoylhydrazinyl)methylidene]amino]benzamide.
What is the SMILES notation for N-[[amino-(2-benzoylhydrazinyl)methylidene]amino]benzamide?
The canonical SMILES for N-[[amino-(2-benzoylhydrazinyl)methylidene]amino]benzamide is NC(=NNC(=O)c1ccccc1)NNC(=O)c1ccccc1.
What is the InChIKey of N-[[amino-(2-benzoylhydrazinyl)methylidene]amino]benzamide?
The InChIKey is UQPUWXJPBVGXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c16-15(19-17-13(21)11-7-3-1-4-8-11)20-18-14(22)12-9-5-2-6-10-12/h1-10H,(H,17,21)(H,18,22)(H3,16,19,20).
What are the key properties of N-[[amino-(2-benzoylhydrazinyl)methylidene]amino]benzamide?
N-[[amino-(2-benzoylhydrazinyl)methylidene]amino]benzamide has a molecular weight of 297.32 g/mol, XLogP of 0.58, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[amino-(2-benzoylhydrazinyl)methylidene]amino]benzamide is sourced from PubChem (CID 154143836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).