N'-acetyl-2-fluoro-5-nitrobenzohydrazide

C9H8FN3O4 — CID 61216707

IUPACN'-acetyl-2-fluoro-5-nitrobenzohydrazide
SMILESCC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C9H8FN3O4/c1-5(14)11-12-9(15)7-4-6(13(16)17)2-3-8(7)10/h2-4H,1H3,(H,11,14)(H,12,15)
InChIKeyNNEZVEDBUCUIIQ-UHFFFAOYSA-N
MW241.18 g/mol
LogP0.51
Rot. Bonds2

About N'-acetyl-2-fluoro-5-nitrobenzohydrazide

N'-acetyl-2-fluoro-5-nitrobenzohydrazide (PubChem CID 61216707) has the molecular formula C9H8FN3O4 and a molecular weight of 241.18 g/mol. Its IUPAC name is N'-acetyl-2-fluoro-5-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-fluoro-5-nitrobenzohydrazide
PubChem CID61216707
Molecular FormulaC9H8FN3O4
Molecular Weight241.18 g/mol
Exact Mass241.05
IUPAC NameN'-acetyl-2-fluoro-5-nitrobenzohydrazide
SMILESCC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C9H8FN3O4/c1-5(14)11-12-9(15)7-4-6(13(16)17)2-3-8(7)10/h2-4H,1H3,(H,11,14)(H,12,15)
InChIKeyNNEZVEDBUCUIIQ-UHFFFAOYSA-N
XLogP0.51
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.18
LogP ≤ 50.51
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'}

Analyze N'-acetyl-2-fluoro-5-nitrobenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-acetyl-2-hydroxy-5-nitrobenzohydrazide
CID 102383620
2-fluoro-N-methyl-5-nitrobenzamide
CID 43377394
2-fluoro-N-(4-methylphenyl)-5-nitrobenzamide
CID 43377467
(2R)-2-[(2-fluoro-5-nitrobenzoyl)amino]propanoic acid
CID 54991135
N-[3-(aminomethyl)pentan-3-yl]-2-fluoro-5-nitrobenzamide
CID 63887378
N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 43377429
2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-nitrobenzamide
CID 65107582
2-fluoro-N-(2-methoxyethoxy)-5-nitrobenzamide
CID 82722467
2-fluoro-N-(2-methoxyethyl)-5-nitrobenzamide
CID 43377388
3-[(2-fluoro-5-nitrobenzoyl)amino]butanoic acid
CID 43808757
N'-acetyl-5-chloro-2-nitrobenzohydrazide
CID 60631017
2-fluoro-5-nitro-N-pyridin-4-ylbenzamide
CID 43377474

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-fluoro-5-nitrobenzohydrazide?
The IUPAC name of N'-acetyl-2-fluoro-5-nitrobenzohydrazide (CID 61216707) is N'-acetyl-2-fluoro-5-nitrobenzohydrazide.
What is the SMILES notation for N'-acetyl-2-fluoro-5-nitrobenzohydrazide?
The canonical SMILES for N'-acetyl-2-fluoro-5-nitrobenzohydrazide is CC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of N'-acetyl-2-fluoro-5-nitrobenzohydrazide?
The InChIKey is NNEZVEDBUCUIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O4/c1-5(14)11-12-9(15)7-4-6(13(16)17)2-3-8(7)10/h2-4H,1H3,(H,11,14)(H,12,15).
What are the key properties of N'-acetyl-2-fluoro-5-nitrobenzohydrazide?
N'-acetyl-2-fluoro-5-nitrobenzohydrazide has a molecular weight of 241.18 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-fluoro-5-nitrobenzohydrazide is sourced from PubChem (CID 61216707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).