5-hydrazinyl-2-nitro-N-(oxan-2-ylmethyl)benzamide

C13H18N4O4 — CID 62237352

IUPAC5-hydrazinyl-2-nitro-N-(oxan-2-ylmethyl)benzamide
SMILESNNc1ccc([N+](=O)[O-])c(C(=O)NCC2CCCCO2)c1
InChIInChI=1S/C13H18N4O4/c14-16-9-4-5-12(17(19)20)11(7-9)13(18)15-8-10-3-1-2-6-21-10/h4-5,7,10,16H,1-3,6,8,14H2,(H,15,18)
InChIKeyJYYMNAUZARPXAQ-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.18
Rot. Bonds5

About 5-hydrazinyl-2-nitro-N-(oxan-2-ylmethyl)benzamide

5-hydrazinyl-2-nitro-N-(oxan-2-ylmethyl)benzamide (PubChem CID 62237352) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-hydrazinyl-2-nitro-N-(oxan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-hydrazinyl-2-nitro-N-(oxan-2-ylmethyl)benzamide
PubChem CID62237352
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name5-hydrazinyl-2-nitro-N-(oxan-2-ylmethyl)benzamide
SMILESNNc1ccc([N+](=O)[O-])c(C(=O)NCC2CCCCO2)c1
InChIInChI=1S/C13H18N4O4/c14-16-9-4-5-12(17(19)20)11(7-9)13(18)15-8-10-3-1-2-6-21-10/h4-5,7,10,16H,1-3,6,8,14H2,(H,15,18)
InChIKeyJYYMNAUZARPXAQ-UHFFFAOYSA-N
XLogP1.18
TPSA119.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-hydrazinyl-2-nitro-N-(thiolan-2-ylmethyl)benzamide
CID 80586206
2,6-difluoro-3-nitro-N-(oxan-2-ylmethyl)benzamide
CID 103740630
4-chloro-2-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 789164
N-cyclopentyl-N-ethyl-5-hydrazinyl-2-nitrobenzamide
CID 62242500
3-fluoro-4-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 55103551
N-(cyclopentylmethyl)-5-(methylamino)-2-nitrobenzamide
CID 62168648
N-(cyclopentylmethyl)-5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 63655560
2-[(2-nitrobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42426628
4-(cyclopropylamino)-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7923143
4-methylsulfanyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 17395490
5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 62248462
6-nitro-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 714835

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-2-nitro-N-(oxan-2-ylmethyl)benzamide?
The IUPAC name of 5-hydrazinyl-2-nitro-N-(oxan-2-ylmethyl)benzamide (CID 62237352) is 5-hydrazinyl-2-nitro-N-(oxan-2-ylmethyl)benzamide.
What is the SMILES notation for 5-hydrazinyl-2-nitro-N-(oxan-2-ylmethyl)benzamide?
The canonical SMILES for 5-hydrazinyl-2-nitro-N-(oxan-2-ylmethyl)benzamide is NNc1ccc([N+](=O)[O-])c(C(=O)NCC2CCCCO2)c1.
What is the InChIKey of 5-hydrazinyl-2-nitro-N-(oxan-2-ylmethyl)benzamide?
The InChIKey is JYYMNAUZARPXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c14-16-9-4-5-12(17(19)20)11(7-9)13(18)15-8-10-3-1-2-6-21-10/h4-5,7,10,16H,1-3,6,8,14H2,(H,15,18).
What are the key properties of 5-hydrazinyl-2-nitro-N-(oxan-2-ylmethyl)benzamide?
5-hydrazinyl-2-nitro-N-(oxan-2-ylmethyl)benzamide has a molecular weight of 294.31 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-2-nitro-N-(oxan-2-ylmethyl)benzamide is sourced from PubChem (CID 62237352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).