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

C10H11F3N4O3 — CID 115549606

IUPAC3-hydrazinyl-2-nitro-N-(3,3,3-trifluoropropyl)benzamide
SMILESNNc1cccc(C(=O)NCCC(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C10H11F3N4O3/c11-10(12,13)4-5-15-9(18)6-2-1-3-7(16-14)8(6)17(19)20/h1-3,16H,4-5,14H2,(H,15,18)
InChIKeyVXXKQLPIMYRWMI-UHFFFAOYSA-N
MW292.22 g/mol
LogP1.56
Rot. Bonds5

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

3-hydrazinyl-2-nitro-N-(3,3,3-trifluoropropyl)benzamide (PubChem CID 115549606) has the molecular formula C10H11F3N4O3 and a molecular weight of 292.22 g/mol. Its IUPAC name is 3-hydrazinyl-2-nitro-N-(3,3,3-trifluoropropyl)benzamide.

Molecular Properties

Compound Name3-hydrazinyl-2-nitro-N-(3,3,3-trifluoropropyl)benzamide
PubChem CID115549606
Molecular FormulaC10H11F3N4O3
Molecular Weight292.22 g/mol
Exact Mass292.08
IUPAC Name3-hydrazinyl-2-nitro-N-(3,3,3-trifluoropropyl)benzamide
SMILESNNc1cccc(C(=O)NCCC(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C10H11F3N4O3/c11-10(12,13)4-5-15-9(18)6-2-1-3-7(16-14)8(6)17(19)20/h1-3,16H,4-5,14H2,(H,15,18)
InChIKeyVXXKQLPIMYRWMI-UHFFFAOYSA-N
XLogP1.56
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 51.56
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'}

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Related Compounds

3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 113333584
N-(4-amino-4-oxobutyl)-3-hydrazinyl-2-nitrobenzamide
CID 115549371
3-hydrazinyl-2-nitro-N-(2-sulfamoylethyl)benzamide
CID 113333609
2-hydrazinyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 115937161
N-benzyl-3-hydrazinyl-2-nitrobenzamide
CID 115549377
3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)benzamide
CID 115549494
N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydrazinyl-2-nitrobenzamide
CID 106098487
3-hydrazinyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-nitrobenzamide
CID 115549498
N-butan-2-yl-3-hydrazinyl-2-nitrobenzamide
CID 115549428
3-hydrazinyl-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 115549529
N-(4-chlorophenyl)-3-hydrazinyl-2-nitrobenzamide
CID 115549451
3-hydrazinyl-2-nitro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 115549682

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-2-nitro-N-(3,3,3-trifluoropropyl)benzamide?
The IUPAC name of 3-hydrazinyl-2-nitro-N-(3,3,3-trifluoropropyl)benzamide (CID 115549606) is 3-hydrazinyl-2-nitro-N-(3,3,3-trifluoropropyl)benzamide.
What is the SMILES notation for 3-hydrazinyl-2-nitro-N-(3,3,3-trifluoropropyl)benzamide?
The canonical SMILES for 3-hydrazinyl-2-nitro-N-(3,3,3-trifluoropropyl)benzamide is NNc1cccc(C(=O)NCCC(F)(F)F)c1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-2-nitro-N-(3,3,3-trifluoropropyl)benzamide?
The InChIKey is VXXKQLPIMYRWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O3/c11-10(12,13)4-5-15-9(18)6-2-1-3-7(16-14)8(6)17(19)20/h1-3,16H,4-5,14H2,(H,15,18).
What are the key properties of 3-hydrazinyl-2-nitro-N-(3,3,3-trifluoropropyl)benzamide?
3-hydrazinyl-2-nitro-N-(3,3,3-trifluoropropyl)benzamide has a molecular weight of 292.22 g/mol, XLogP of 1.56, 5 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-(3,3,3-trifluoropropyl)benzamide is sourced from PubChem (CID 115549606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).