3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide

C9H9F3N4O3 — CID 113333584

IUPAC3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide
SMILESNNc1cccc(C(=O)NCC(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C9H9F3N4O3/c10-9(11,12)4-14-8(17)5-2-1-3-6(15-13)7(5)16(18)19/h1-3,15H,4,13H2,(H,14,17)
InChIKeyZYOUYVKTCFSYDK-UHFFFAOYSA-N
MW278.19 g/mol
LogP1.17
Rot. Bonds4

About 3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide

3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 113333584) has the molecular formula C9H9F3N4O3 and a molecular weight of 278.19 g/mol. Its IUPAC name is 3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID113333584
Molecular FormulaC9H9F3N4O3
Molecular Weight278.19 g/mol
Exact Mass278.06
IUPAC Name3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide
SMILESNNc1cccc(C(=O)NCC(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C9H9F3N4O3/c10-9(11,12)4-14-8(17)5-2-1-3-6(15-13)7(5)16(18)19/h1-3,15H,4,13H2,(H,14,17)
InChIKeyZYOUYVKTCFSYDK-UHFFFAOYSA-N
XLogP1.17
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide 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

3-hydrazinyl-2-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 115549606
N-benzyl-3-hydrazinyl-2-nitrobenzamide
CID 115549377
N-(4-amino-4-oxobutyl)-3-hydrazinyl-2-nitrobenzamide
CID 115549371
3-hydrazinyl-2-nitro-N-(2-sulfamoylethyl)benzamide
CID 113333609
N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydrazinyl-2-nitrobenzamide
CID 106098487
2-bromo-3-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 113367081
N-butan-2-yl-3-hydrazinyl-2-nitrobenzamide
CID 115549428
3-hydrazinyl-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 115549529
3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)benzamide
CID 115549494
3-hydrazinyl-2-nitro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 115549682
N-(4-chlorophenyl)-3-hydrazinyl-2-nitrobenzamide
CID 115549451
3-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-nitrobenzamide
CID 106025899

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide (CID 113333584) is 3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide is NNc1cccc(C(=O)NCC(F)(F)F)c1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is ZYOUYVKTCFSYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O3/c10-9(11,12)4-14-8(17)5-2-1-3-6(15-13)7(5)16(18)19/h1-3,15H,4,13H2,(H,14,17).
What are the key properties of 3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide?
3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 278.19 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 113333584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).