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

C10H11F3N4O3 — CID 115937161

IUPAC2-hydrazinyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
SMILESNNc1c(C(=O)NCCC(F)(F)F)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H11F3N4O3/c11-10(12,13)4-5-15-9(18)6-2-1-3-7(17(19)20)8(6)16-14/h1-3,16H,4-5,14H2,(H,15,18)
InChIKeyUSLMHPQMXYBVML-UHFFFAOYSA-N
MW292.22 g/mol
LogP1.56
Rot. Bonds5

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

2-hydrazinyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide (PubChem CID 115937161) has the molecular formula C10H11F3N4O3 and a molecular weight of 292.22 g/mol. Its IUPAC name is 2-hydrazinyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide.

Molecular Properties

Compound Name2-hydrazinyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
PubChem CID115937161
Molecular FormulaC10H11F3N4O3
Molecular Weight292.22 g/mol
Exact Mass292.08
IUPAC Name2-hydrazinyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
SMILESNNc1c(C(=O)NCCC(F)(F)F)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H11F3N4O3/c11-10(12,13)4-5-15-9(18)6-2-1-3-7(17(19)20)8(6)16-14/h1-3,16H,4-5,14H2,(H,15,18)
InChIKeyUSLMHPQMXYBVML-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

N-(2-cyclopropylethyl)-2-hydrazinyl-3-nitrobenzamide
CID 112580705
N-ethyl-2-hydrazinyl-3-nitrobenzamide
CID 112580670
3-hydrazinyl-2-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 115549606
2-hydrazinyl-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 115937147
2-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide
CID 115937146
2-morpholin-4-yl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 86782454
N-[2-(dimethylamino)-2-methylpropyl]-2-hydrazinyl-3-nitrobenzamide
CID 115937099
2-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzamide
CID 106331395
N-(cyclohexylmethyl)-2-hydrazinyl-3-nitrobenzamide
CID 115937120
2-hydrazinyl-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 115937049
2-amino-5-fluoro-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 103709597
2-amino-3-nitro-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 103732898

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide?
The IUPAC name of 2-hydrazinyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide (CID 115937161) is 2-hydrazinyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide.
What is the SMILES notation for 2-hydrazinyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide?
The canonical SMILES for 2-hydrazinyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide is NNc1c(C(=O)NCCC(F)(F)F)cccc1[N+](=O)[O-].
What is the InChIKey of 2-hydrazinyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide?
The InChIKey is USLMHPQMXYBVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O3/c11-10(12,13)4-5-15-9(18)6-2-1-3-7(17(19)20)8(6)16-14/h1-3,16H,4-5,14H2,(H,15,18).
What are the key properties of 2-hydrazinyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide?
2-hydrazinyl-3-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 2-hydrazinyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide is sourced from PubChem (CID 115937161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).