N'-benzoyl-4-nitrobenzohydrazide

C14H11N3O4 — CID 3696545

IUPACN'-benzoyl-4-nitrobenzohydrazide
SMILESO=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C14H11N3O4/c18-13(10-4-2-1-3-5-10)15-16-14(19)11-6-8-12(9-7-11)17(20)21/h1-9H,(H,15,18)(H,16,19)
InChIKeyMDJVHOUBMQIQCS-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.67
Rot. Bonds3

About N'-benzoyl-4-nitrobenzohydrazide

N'-benzoyl-4-nitrobenzohydrazide (PubChem CID 3696545) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is N'-benzoyl-4-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-4-nitrobenzohydrazide
PubChem CID3696545
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC NameN'-benzoyl-4-nitrobenzohydrazide
SMILESO=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C14H11N3O4/c18-13(10-4-2-1-3-5-10)15-16-14(19)11-6-8-12(9-7-11)17(20)21/h1-9H,(H,15,18)(H,16,19)
InChIKeyMDJVHOUBMQIQCS-UHFFFAOYSA-N
XLogP1.67
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-4-nitrobenzohydrazide?
The IUPAC name of N'-benzoyl-4-nitrobenzohydrazide (CID 3696545) is N'-benzoyl-4-nitrobenzohydrazide.
What is the SMILES notation for N'-benzoyl-4-nitrobenzohydrazide?
The canonical SMILES for N'-benzoyl-4-nitrobenzohydrazide is O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of N'-benzoyl-4-nitrobenzohydrazide?
The InChIKey is MDJVHOUBMQIQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4/c18-13(10-4-2-1-3-5-10)15-16-14(19)11-6-8-12(9-7-11)17(20)21/h1-9H,(H,15,18)(H,16,19).
What are the key properties of N'-benzoyl-4-nitrobenzohydrazide?
N'-benzoyl-4-nitrobenzohydrazide has a molecular weight of 285.26 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-4-nitrobenzohydrazide is sourced from PubChem (CID 3696545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).