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

C14H9ClN4O6 — CID 3381280

IUPAC4-chloro-3-nitro-N'-(3-nitrobenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H9ClN4O6/c15-11-5-4-9(7-12(11)19(24)25)14(21)17-16-13(20)8-2-1-3-10(6-8)18(22)23/h1-7H,(H,16,20)(H,17,21)
InChIKeyZAUHUUGTMFAWKW-UHFFFAOYSA-N
MW364.70 g/mol
LogP2.23
Rot. Bonds4

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

4-chloro-3-nitro-N'-(3-nitrobenzoyl)benzohydrazide (PubChem CID 3381280) has the molecular formula C14H9ClN4O6 and a molecular weight of 364.70 g/mol. Its IUPAC name is 4-chloro-3-nitro-N'-(3-nitrobenzoyl)benzohydrazide.

Molecular Properties

Compound Name4-chloro-3-nitro-N'-(3-nitrobenzoyl)benzohydrazide
PubChem CID3381280
Molecular FormulaC14H9ClN4O6
Molecular Weight364.70 g/mol
Exact Mass364.02
IUPAC Name4-chloro-3-nitro-N'-(3-nitrobenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H9ClN4O6/c15-11-5-4-9(7-12(11)19(24)25)14(21)17-16-13(20)8-2-1-3-10(6-8)18(22)23/h1-7H,(H,16,20)(H,17,21)
InChIKeyZAUHUUGTMFAWKW-UHFFFAOYSA-N
XLogP2.23
TPSA144.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.70
LogP ≤ 52.23
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-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
4-bromo-N'-(3-chlorobenzoyl)-3-nitrobenzohydrazide
CID 8913316
4-chloro-3-nitrobenzohydrazide
CID 3704353
N-(2,6-dichlorophenyl)-3-nitrobenzamide
CID 784701
N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 6133004
N'-(3-methylbut-2-enoyl)-3-nitrobenzohydrazide
CID 47101061
3,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3339172
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
N-tert-butyl-2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoacetamide
CID 3108515
4-chloro-N'-(cyclohexanecarbonyl)-3-nitrobenzohydrazide
CID 3383684
4-chloro-N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]benzamide
CID 3555282
N'-(benzenesulfonyl)-4-chloro-3-nitrobenzohydrazide
CID 3409040

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-nitro-N'-(3-nitrobenzoyl)benzohydrazide?
The IUPAC name of 4-chloro-3-nitro-N'-(3-nitrobenzoyl)benzohydrazide (CID 3381280) is 4-chloro-3-nitro-N'-(3-nitrobenzoyl)benzohydrazide.
What is the SMILES notation for 4-chloro-3-nitro-N'-(3-nitrobenzoyl)benzohydrazide?
The canonical SMILES for 4-chloro-3-nitro-N'-(3-nitrobenzoyl)benzohydrazide is O=C(NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-3-nitro-N'-(3-nitrobenzoyl)benzohydrazide?
The InChIKey is ZAUHUUGTMFAWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4O6/c15-11-5-4-9(7-12(11)19(24)25)14(21)17-16-13(20)8-2-1-3-10(6-8)18(22)23/h1-7H,(H,16,20)(H,17,21).
What are the key properties of 4-chloro-3-nitro-N'-(3-nitrobenzoyl)benzohydrazide?
4-chloro-3-nitro-N'-(3-nitrobenzoyl)benzohydrazide has a molecular weight of 364.70 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-nitro-N'-(3-nitrobenzoyl)benzohydrazide is sourced from PubChem (CID 3381280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).