4-fluoro-5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide

C13H19FN4O3 — CID 106331390

IUPAC4-fluoro-5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide
SMILESCCC(C)(CC)NC(=O)c1cc(NN)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19FN4O3/c1-4-13(3,5-2)16-12(19)8-6-10(17-15)9(14)7-11(8)18(20)21/h6-7,17H,4-5,15H2,1-3H3,(H,16,19)
InChIKeyGXSIGDXCVDYJAJ-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.33
Rot. Bonds6

About 4-fluoro-5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide

4-fluoro-5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide (PubChem CID 106331390) has the molecular formula C13H19FN4O3 and a molecular weight of 298.32 g/mol. Its IUPAC name is 4-fluoro-5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide.

Molecular Properties

Compound Name4-fluoro-5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide
PubChem CID106331390
Molecular FormulaC13H19FN4O3
Molecular Weight298.32 g/mol
Exact Mass298.14
IUPAC Name4-fluoro-5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide
SMILESCCC(C)(CC)NC(=O)c1cc(NN)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19FN4O3/c1-4-13(3,5-2)16-12(19)8-6-10(17-15)9(14)7-11(8)18(20)21/h6-7,17H,4-5,15H2,1-3H3,(H,16,19)
InChIKeyGXSIGDXCVDYJAJ-UHFFFAOYSA-N
XLogP2.33
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.33
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-butan-2-yl-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62236101
N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62241216
5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide
CID 106331363
4-fluoro-5-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide
CID 62242120
N-(4-amino-4-oxobutyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62236532
N-cyclopropyl-N-ethyl-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62242455
N-(cyclopentylmethyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62243387
2-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzamide
CID 106331395
4-fluoro-5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzamide
CID 62242174
4-fluoro-5-hydrazinyl-2-nitro-N-piperidin-1-ylbenzamide
CID 83016957
4-fluoro-5-(methylamino)-2-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 62170865
4-fluoro-5-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzamide
CID 114541023

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide?
The IUPAC name of 4-fluoro-5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide (CID 106331390) is 4-fluoro-5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide.
What is the SMILES notation for 4-fluoro-5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide?
The canonical SMILES for 4-fluoro-5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide is CCC(C)(CC)NC(=O)c1cc(NN)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 4-fluoro-5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide?
The InChIKey is GXSIGDXCVDYJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O3/c1-4-13(3,5-2)16-12(19)8-6-10(17-15)9(14)7-11(8)18(20)21/h6-7,17H,4-5,15H2,1-3H3,(H,16,19).
What are the key properties of 4-fluoro-5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide?
4-fluoro-5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide has a molecular weight of 298.32 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide is sourced from PubChem (CID 106331390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).