N'-acetyl-4-nitrobenzohydrazide

C9H9N3O4 — CID 3332418

IUPACN'-acetyl-4-nitrobenzohydrazide
SMILESCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H9N3O4/c1-6(13)10-11-9(14)7-2-4-8(5-3-7)12(15)16/h2-5H,1H3,(H,10,13)(H,11,14)
InChIKeyUGBLEARQDSFEGM-UHFFFAOYSA-N
MW223.19 g/mol
LogP0.38
Rot. Bonds2

About N'-acetyl-4-nitrobenzohydrazide

N'-acetyl-4-nitrobenzohydrazide (PubChem CID 3332418) has the molecular formula C9H9N3O4 and a molecular weight of 223.19 g/mol. Its IUPAC name is N'-acetyl-4-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-acetyl-4-nitrobenzohydrazide
PubChem CID3332418
Molecular FormulaC9H9N3O4
Molecular Weight223.19 g/mol
Exact Mass223.06
IUPAC NameN'-acetyl-4-nitrobenzohydrazide
SMILESCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H9N3O4/c1-6(13)10-11-9(14)7-2-4-8(5-3-7)12(15)16/h2-5H,1H3,(H,10,13)(H,11,14)
InChIKeyUGBLEARQDSFEGM-UHFFFAOYSA-N
XLogP0.38
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 50.38
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'-acetyl-4-nitrobenzohydrazide?
The IUPAC name of N'-acetyl-4-nitrobenzohydrazide (CID 3332418) is N'-acetyl-4-nitrobenzohydrazide.
What is the SMILES notation for N'-acetyl-4-nitrobenzohydrazide?
The canonical SMILES for N'-acetyl-4-nitrobenzohydrazide is CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-acetyl-4-nitrobenzohydrazide?
The InChIKey is UGBLEARQDSFEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4/c1-6(13)10-11-9(14)7-2-4-8(5-3-7)12(15)16/h2-5H,1H3,(H,10,13)(H,11,14).
What are the key properties of N'-acetyl-4-nitrobenzohydrazide?
N'-acetyl-4-nitrobenzohydrazide has a molecular weight of 223.19 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-4-nitrobenzohydrazide is sourced from PubChem (CID 3332418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).