4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzohydrazide

C17H16N6O7 — CID 4275309

IUPAC4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzohydrazide
SMILESCC(NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H16N6O7/c1-10(18-20-16(25)11-2-6-13(7-3-11)22(27)28)15(24)19-21-17(26)12-4-8-14(9-5-12)23(29)30/h2-10,18H,1H3,(H,19,24)(H,20,25)(H,21,26)
InChIKeyIYISASBAXTWGJN-UHFFFAOYSA-N
MW416.35 g/mol
LogP0.59
Rot. Bonds7

About 4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzohydrazide

4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzohydrazide (PubChem CID 4275309) has the molecular formula C17H16N6O7 and a molecular weight of 416.35 g/mol. Its IUPAC name is 4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzohydrazide.

Molecular Properties

Compound Name4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzohydrazide
PubChem CID4275309
Molecular FormulaC17H16N6O7
Molecular Weight416.35 g/mol
Exact Mass416.11
IUPAC Name4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzohydrazide
SMILESCC(NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H16N6O7/c1-10(18-20-16(25)11-2-6-13(7-3-11)22(27)28)15(24)19-21-17(26)12-4-8-14(9-5-12)23(29)30/h2-10,18H,1H3,(H,19,24)(H,20,25)(H,21,26)
InChIKeyIYISASBAXTWGJN-UHFFFAOYSA-N
XLogP0.59
TPSA185.61 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzohydrazide
CID 4592576
methyl N-[(4-nitrobenzoyl)amino]carbamate
CID 3756134
propan-2-yl N-[(4-nitrobenzoyl)amino]carbamodithioate
CID 57342828
N'-(2,2-dimethylpropanoyl)-4-nitrobenzohydrazide
CID 4927498
N-(2-methylpropyl)-2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoacetamide
CID 3402771
N'-[2-(2-methylphenoxy)propanoyl]-4-nitrobenzohydrazide
CID 4931669
N'-[(2R)-2-(4-nitrophenoxy)propanoyl]benzohydrazide
CID 8864494
N'-[2-(4-nitrophenoxy)propanoyl]benzohydrazide
CID 4951406
N'-[2-(4-nitrophenoxy)propanoyl]-4-phenylbenzohydrazide
CID 4951357
N-[(4-nitrobenzoyl)amino]carbamodithioate
CID 135778383
N-[(2R)-3-methylbutan-2-yl]-4-nitrobenzamide
CID 92515236
N-[4-[(propan-2-ylamino)carbamoyl]phenyl]methanimine oxide
CID 58689915

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzohydrazide?
The IUPAC name of 4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzohydrazide (CID 4275309) is 4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzohydrazide.
What is the SMILES notation for 4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzohydrazide?
The canonical SMILES for 4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzohydrazide is CC(NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzohydrazide?
The InChIKey is IYISASBAXTWGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O7/c1-10(18-20-16(25)11-2-6-13(7-3-11)22(27)28)15(24)19-21-17(26)12-4-8-14(9-5-12)23(29)30/h2-10,18H,1H3,(H,19,24)(H,20,25)(H,21,26).
What are the key properties of 4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzohydrazide?
4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzohydrazide has a molecular weight of 416.35 g/mol, XLogP of 0.59, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzohydrazide is sourced from PubChem (CID 4275309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).