N-(4-amino-4-oxobutyl)-3-hydrazinyl-2-nitrobenzamide

C11H15N5O4 — CID 115549371

IUPACN-(4-amino-4-oxobutyl)-3-hydrazinyl-2-nitrobenzamide
SMILESNNc1cccc(C(=O)NCCCC(N)=O)c1[N+](=O)[O-]
InChIInChI=1S/C11H15N5O4/c12-9(17)5-2-6-14-11(18)7-3-1-4-8(15-13)10(7)16(19)20/h1,3-4,15H,2,5-6,13H2,(H2,12,17)(H,14,18)
InChIKeyGFYOAPZGRCHEBZ-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.12
Rot. Bonds7

About N-(4-amino-4-oxobutyl)-3-hydrazinyl-2-nitrobenzamide

N-(4-amino-4-oxobutyl)-3-hydrazinyl-2-nitrobenzamide (PubChem CID 115549371) has the molecular formula C11H15N5O4 and a molecular weight of 281.27 g/mol. Its IUPAC name is N-(4-amino-4-oxobutyl)-3-hydrazinyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutyl)-3-hydrazinyl-2-nitrobenzamide
PubChem CID115549371
Molecular FormulaC11H15N5O4
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC NameN-(4-amino-4-oxobutyl)-3-hydrazinyl-2-nitrobenzamide
SMILESNNc1cccc(C(=O)NCCCC(N)=O)c1[N+](=O)[O-]
InChIInChI=1S/C11H15N5O4/c12-9(17)5-2-6-14-11(18)7-3-1-4-8(15-13)10(7)16(19)20/h1,3-4,15H,2,5-6,13H2,(H2,12,17)(H,14,18)
InChIKeyGFYOAPZGRCHEBZ-UHFFFAOYSA-N
XLogP-0.12
TPSA153.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-sulfamoylethyl)benzamide
CID 113333609
3-hydrazinyl-2-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 115549606
N-benzyl-3-hydrazinyl-2-nitrobenzamide
CID 115549377
3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 113333584
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-(methylamino)-2-nitro-N-pentylbenzamide
CID 115548093
2-nitro-N-pentyl-3-(propylamino)benzamide
CID 115548094
3-(methylamino)-2-nitro-N-(3-sulfamoylpropyl)benzamide
CID 115548695
N-(4-amino-4-oxobutyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62236532
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

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutyl)-3-hydrazinyl-2-nitrobenzamide?
The IUPAC name of N-(4-amino-4-oxobutyl)-3-hydrazinyl-2-nitrobenzamide (CID 115549371) is N-(4-amino-4-oxobutyl)-3-hydrazinyl-2-nitrobenzamide.
What is the SMILES notation for N-(4-amino-4-oxobutyl)-3-hydrazinyl-2-nitrobenzamide?
The canonical SMILES for N-(4-amino-4-oxobutyl)-3-hydrazinyl-2-nitrobenzamide is NNc1cccc(C(=O)NCCCC(N)=O)c1[N+](=O)[O-].
What is the InChIKey of N-(4-amino-4-oxobutyl)-3-hydrazinyl-2-nitrobenzamide?
The InChIKey is GFYOAPZGRCHEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O4/c12-9(17)5-2-6-14-11(18)7-3-1-4-8(15-13)10(7)16(19)20/h1,3-4,15H,2,5-6,13H2,(H2,12,17)(H,14,18).
What are the key properties of N-(4-amino-4-oxobutyl)-3-hydrazinyl-2-nitrobenzamide?
N-(4-amino-4-oxobutyl)-3-hydrazinyl-2-nitrobenzamide has a molecular weight of 281.27 g/mol, XLogP of -0.12, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutyl)-3-hydrazinyl-2-nitrobenzamide is sourced from PubChem (CID 115549371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).