5-hydrazinyl-2-nitro-N-pentylbenzamide

C12H18N4O3 — CID 55052453

IUPAC5-hydrazinyl-2-nitro-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3/c1-2-3-4-7-14-12(17)10-8-9(15-13)5-6-11(10)16(18)19/h5-6,8,15H,2-4,7,13H2,1H3,(H,14,17)
InChIKeyJNGUGAIYDLIIDJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.80
Rot. Bonds7

About 5-hydrazinyl-2-nitro-N-pentylbenzamide

5-hydrazinyl-2-nitro-N-pentylbenzamide (PubChem CID 55052453) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-hydrazinyl-2-nitro-N-pentylbenzamide.

Molecular Properties

Compound Name5-hydrazinyl-2-nitro-N-pentylbenzamide
PubChem CID55052453
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name5-hydrazinyl-2-nitro-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3/c1-2-3-4-7-14-12(17)10-8-9(15-13)5-6-11(10)16(18)19/h5-6,8,15H,2-4,7,13H2,1H3,(H,14,17)
InChIKeyJNGUGAIYDLIIDJ-UHFFFAOYSA-N
XLogP1.80
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

5-hydrazinyl-N-(5-methylhexyl)-2-nitrobenzamide
CID 115327339
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5-fluoro-N-hexyl-2-nitrobenzamide
CID 61041520
5-chloro-N-decyl-2-nitrobenzamide
CID 4113586
5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 62248462
5-hydrazinyl-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
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5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide
CID 106331363
N-(2-ethoxypropyl)-5-hydrazinyl-2-nitrobenzamide
CID 113478196
N-(2-butoxyethyl)-5-(methylamino)-2-nitrobenzamide
CID 62177960
5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitrobenzamide
CID 65236539
2-amino-3-nitro-N-octylbenzamide
CID 115936915
ethyl 4-[(5-hydroxy-2-nitrobenzoyl)amino]butanoate
CID 107076096

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-2-nitro-N-pentylbenzamide?
The IUPAC name of 5-hydrazinyl-2-nitro-N-pentylbenzamide (CID 55052453) is 5-hydrazinyl-2-nitro-N-pentylbenzamide.
What is the SMILES notation for 5-hydrazinyl-2-nitro-N-pentylbenzamide?
The canonical SMILES for 5-hydrazinyl-2-nitro-N-pentylbenzamide is CCCCCNC(=O)c1cc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of 5-hydrazinyl-2-nitro-N-pentylbenzamide?
The InChIKey is JNGUGAIYDLIIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-3-4-7-14-12(17)10-8-9(15-13)5-6-11(10)16(18)19/h5-6,8,15H,2-4,7,13H2,1H3,(H,14,17).
What are the key properties of 5-hydrazinyl-2-nitro-N-pentylbenzamide?
5-hydrazinyl-2-nitro-N-pentylbenzamide has a molecular weight of 266.30 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-2-nitro-N-pentylbenzamide is sourced from PubChem (CID 55052453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).