N'-benzoyl-2-nitrosobenzohydrazide

C14H11N3O3 — CID 89185550

IUPACN'-benzoyl-2-nitrosobenzohydrazide
SMILESO=Nc1ccccc1C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C14H11N3O3/c18-13(10-6-2-1-3-7-10)15-16-14(19)11-8-4-5-9-12(11)17-20/h1-9H,(H,15,18)(H,16,19)
InChIKeyDMEAROPVOZSWCT-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.16
Rot. Bonds3

About N'-benzoyl-2-nitrosobenzohydrazide

N'-benzoyl-2-nitrosobenzohydrazide (PubChem CID 89185550) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is N'-benzoyl-2-nitrosobenzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-2-nitrosobenzohydrazide
PubChem CID89185550
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC NameN'-benzoyl-2-nitrosobenzohydrazide
SMILESO=Nc1ccccc1C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C14H11N3O3/c18-13(10-6-2-1-3-7-10)15-16-14(19)11-8-4-5-9-12(11)17-20/h1-9H,(H,15,18)(H,16,19)
InChIKeyDMEAROPVOZSWCT-UHFFFAOYSA-N
XLogP2.16
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-2-nitrosobenzohydrazide?
The IUPAC name of N'-benzoyl-2-nitrosobenzohydrazide (CID 89185550) is N'-benzoyl-2-nitrosobenzohydrazide.
What is the SMILES notation for N'-benzoyl-2-nitrosobenzohydrazide?
The canonical SMILES for N'-benzoyl-2-nitrosobenzohydrazide is O=Nc1ccccc1C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of N'-benzoyl-2-nitrosobenzohydrazide?
The InChIKey is DMEAROPVOZSWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-13(10-6-2-1-3-7-10)15-16-14(19)11-8-4-5-9-12(11)17-20/h1-9H,(H,15,18)(H,16,19).
What are the key properties of N'-benzoyl-2-nitrosobenzohydrazide?
N'-benzoyl-2-nitrosobenzohydrazide has a molecular weight of 269.26 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-2-nitrosobenzohydrazide is sourced from PubChem (CID 89185550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).