3-methyl-4-nitro-N'-(4-nitrobenzoyl)benzohydrazide

C15H12N4O6 — CID 3985310

IUPAC3-methyl-4-nitro-N'-(4-nitrobenzoyl)benzohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H12N4O6/c1-9-8-11(4-7-13(9)19(24)25)15(21)17-16-14(20)10-2-5-12(6-3-10)18(22)23/h2-8H,1H3,(H,16,20)(H,17,21)
InChIKeyHVEUGBQOODQSTA-UHFFFAOYSA-N
MW344.28 g/mol
LogP1.89
Rot. Bonds4

About 3-methyl-4-nitro-N'-(4-nitrobenzoyl)benzohydrazide

3-methyl-4-nitro-N'-(4-nitrobenzoyl)benzohydrazide (PubChem CID 3985310) has the molecular formula C15H12N4O6 and a molecular weight of 344.28 g/mol. Its IUPAC name is 3-methyl-4-nitro-N'-(4-nitrobenzoyl)benzohydrazide.

Molecular Properties

Compound Name3-methyl-4-nitro-N'-(4-nitrobenzoyl)benzohydrazide
PubChem CID3985310
Molecular FormulaC15H12N4O6
Molecular Weight344.28 g/mol
Exact Mass344.08
IUPAC Name3-methyl-4-nitro-N'-(4-nitrobenzoyl)benzohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H12N4O6/c1-9-8-11(4-7-13(9)19(24)25)15(21)17-16-14(20)10-2-5-12(6-3-10)18(22)23/h2-8H,1H3,(H,16,20)(H,17,21)
InChIKeyHVEUGBQOODQSTA-UHFFFAOYSA-N
XLogP1.89
TPSA144.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'-(4-bromobenzoyl)-3-methyl-4-nitrobenzohydrazide
CID 4811360
N'-(2,5-dichlorobenzoyl)-3-methyl-4-nitrobenzohydrazide
CID 7910668
2-[(3-methyl-4-nitrobenzoyl)amino]acetate
CID 2404866
N-(2-chloro-4-nitrophenyl)-3-methyl-4-nitrobenzamide
CID 4985989
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methyl-4-nitrobenzohydrazide
CID 4811497
2-methyl-N'-(4-nitrobenzoyl)benzohydrazide
CID 3762572
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
3,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3339172
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methyl-4-nitrobenzamide
CID 103895543
methyl N-[(4-nitrobenzoyl)amino]carbamate
CID 3756134
1-(4-chlorophenyl)-3-[(3-methyl-4-nitrobenzoyl)amino]thiourea
CID 9469143
1-(4-fluorophenyl)-3-[(3-methyl-4-nitrobenzoyl)amino]thiourea
CID 9469568

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-nitro-N'-(4-nitrobenzoyl)benzohydrazide?
The IUPAC name of 3-methyl-4-nitro-N'-(4-nitrobenzoyl)benzohydrazide (CID 3985310) is 3-methyl-4-nitro-N'-(4-nitrobenzoyl)benzohydrazide.
What is the SMILES notation for 3-methyl-4-nitro-N'-(4-nitrobenzoyl)benzohydrazide?
The canonical SMILES for 3-methyl-4-nitro-N'-(4-nitrobenzoyl)benzohydrazide is Cc1cc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-methyl-4-nitro-N'-(4-nitrobenzoyl)benzohydrazide?
The InChIKey is HVEUGBQOODQSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O6/c1-9-8-11(4-7-13(9)19(24)25)15(21)17-16-14(20)10-2-5-12(6-3-10)18(22)23/h2-8H,1H3,(H,16,20)(H,17,21).
What are the key properties of 3-methyl-4-nitro-N'-(4-nitrobenzoyl)benzohydrazide?
3-methyl-4-nitro-N'-(4-nitrobenzoyl)benzohydrazide has a molecular weight of 344.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-nitro-N'-(4-nitrobenzoyl)benzohydrazide is sourced from PubChem (CID 3985310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).