N-butan-2-yl-4-fluoro-5-hydrazinyl-2-nitrobenzamide

C11H15FN4O3 — CID 62236101

IUPACN-butan-2-yl-4-fluoro-5-hydrazinyl-2-nitrobenzamide
SMILESCCC(C)NC(=O)c1cc(NN)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H15FN4O3/c1-3-6(2)14-11(17)7-4-9(15-13)8(12)5-10(7)16(18)19/h4-6,15H,3,13H2,1-2H3,(H,14,17)
InChIKeyINXFLMKHCZFKLX-UHFFFAOYSA-N
MW270.26 g/mol
LogP1.55
Rot. Bonds5

About N-butan-2-yl-4-fluoro-5-hydrazinyl-2-nitrobenzamide

N-butan-2-yl-4-fluoro-5-hydrazinyl-2-nitrobenzamide (PubChem CID 62236101) has the molecular formula C11H15FN4O3 and a molecular weight of 270.26 g/mol. Its IUPAC name is N-butan-2-yl-4-fluoro-5-hydrazinyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-fluoro-5-hydrazinyl-2-nitrobenzamide
PubChem CID62236101
Molecular FormulaC11H15FN4O3
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC NameN-butan-2-yl-4-fluoro-5-hydrazinyl-2-nitrobenzamide
SMILESCCC(C)NC(=O)c1cc(NN)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H15FN4O3/c1-3-6(2)14-11(17)7-4-9(15-13)8(12)5-10(7)16(18)19/h4-6,15H,3,13H2,1-2H3,(H,14,17)
InChIKeyINXFLMKHCZFKLX-UHFFFAOYSA-N
XLogP1.55
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 51.55
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

5-amino-N-butan-2-yl-4-fluoro-2-nitrobenzamide
CID 55043102
4-fluoro-5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide
CID 106331390
N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62241216
5-amino-4-fluoro-2-nitro-N-pentan-2-ylbenzamide
CID 62152144
4-fluoro-5-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide
CID 62242120
4,5-difluoro-N-(4-methylsulfanylbutan-2-yl)-2-nitrobenzamide
CID 115636184
N-butan-2-yl-4-chloro-2-nitrobenzamide
CID 4080070
N-(cyclopentylmethyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62243387
N-(4-amino-4-oxobutyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62236532
4-fluoro-5-hydrazinyl-2-nitro-N-piperidin-1-ylbenzamide
CID 83016957
N-butan-2-yl-3-hydrazinyl-2-nitrobenzamide
CID 115549428
N-cyclopropyl-N-ethyl-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62242455

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-fluoro-5-hydrazinyl-2-nitrobenzamide?
The IUPAC name of N-butan-2-yl-4-fluoro-5-hydrazinyl-2-nitrobenzamide (CID 62236101) is N-butan-2-yl-4-fluoro-5-hydrazinyl-2-nitrobenzamide.
What is the SMILES notation for N-butan-2-yl-4-fluoro-5-hydrazinyl-2-nitrobenzamide?
The canonical SMILES for N-butan-2-yl-4-fluoro-5-hydrazinyl-2-nitrobenzamide is CCC(C)NC(=O)c1cc(NN)c(F)cc1[N+](=O)[O-].
What is the InChIKey of N-butan-2-yl-4-fluoro-5-hydrazinyl-2-nitrobenzamide?
The InChIKey is INXFLMKHCZFKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O3/c1-3-6(2)14-11(17)7-4-9(15-13)8(12)5-10(7)16(18)19/h4-6,15H,3,13H2,1-2H3,(H,14,17).
What are the key properties of N-butan-2-yl-4-fluoro-5-hydrazinyl-2-nitrobenzamide?
N-butan-2-yl-4-fluoro-5-hydrazinyl-2-nitrobenzamide has a molecular weight of 270.26 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-fluoro-5-hydrazinyl-2-nitrobenzamide is sourced from PubChem (CID 62236101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).