2-nitro-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide

C16H14N4O7 — CID 4944143

IUPAC2-nitro-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide
SMILESCC(Oc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H14N4O7/c1-10(27-14-9-5-4-8-13(14)20(25)26)15(21)17-18-16(22)11-6-2-3-7-12(11)19(23)24/h2-10H,1H3,(H,17,21)(H,18,22)
InChIKeyTWKNZRUCGTUPRU-UHFFFAOYSA-N
MW374.31 g/mol
LogP1.73
Rot. Bonds6

About 2-nitro-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide

2-nitro-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide (PubChem CID 4944143) has the molecular formula C16H14N4O7 and a molecular weight of 374.31 g/mol. Its IUPAC name is 2-nitro-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name2-nitro-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide
PubChem CID4944143
Molecular FormulaC16H14N4O7
Molecular Weight374.31 g/mol
Exact Mass374.09
IUPAC Name2-nitro-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide
SMILESCC(Oc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H14N4O7/c1-10(27-14-9-5-4-8-13(14)20(25)26)15(21)17-18-16(22)11-6-2-3-7-12(11)19(23)24/h2-10H,1H3,(H,17,21)(H,18,22)
InChIKeyTWKNZRUCGTUPRU-UHFFFAOYSA-N
XLogP1.73
TPSA153.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2-fluorophenoxy)propanoyl]-2-nitrobenzohydrazide
CID 43003717
N'-[2-(2-chlorophenoxy)propanoyl]-2-nitrobenzohydrazide
CID 4932160
2,4-dichloro-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 9206008
N'-[2-(2,6-dimethylphenoxy)propanoyl]-2-nitrobenzohydrazide
CID 4958662
N'-[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-2-nitrobenzohydrazide
CID 9297820
4-tert-butyl-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 4944277
N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
CID 42579619
2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-N-propan-2-ylbenzamide
CID 9205694
N'-(2-bromopropanoyl)-2-nitrobenzohydrazide
CID 3809128
2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
CID 9205343
2-[2-(2-nitrophenoxy)propanoylamino]-N-phenylbenzamide
CID 4943701
4-(2-methylpropoxy)-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 9206169

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide?
The IUPAC name of 2-nitro-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide (CID 4944143) is 2-nitro-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 2-nitro-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 2-nitro-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide is CC(Oc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide?
The InChIKey is TWKNZRUCGTUPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O7/c1-10(27-14-9-5-4-8-13(14)20(25)26)15(21)17-18-16(22)11-6-2-3-7-12(11)19(23)24/h2-10H,1H3,(H,17,21)(H,18,22).
What are the key properties of 2-nitro-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide?
2-nitro-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide has a molecular weight of 374.31 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 4944143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).