3,5-dinitro-N'-phenylbenzohydrazide

C13H10N4O5 — CID 78774569

IUPAC3,5-dinitro-N'-phenylbenzohydrazide
SMILESO=C(NNc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C13H10N4O5/c18-13(15-14-10-4-2-1-3-5-10)9-6-11(16(19)20)8-12(7-9)17(21)22/h1-8,14H,(H,15,18)
InChIKeySNAVNSRHCZNSNX-UHFFFAOYSA-N
MW302.25 g/mol
LogP2.26
Rot. Bonds5

About 3,5-dinitro-N'-phenylbenzohydrazide

3,5-dinitro-N'-phenylbenzohydrazide (PubChem CID 78774569) has the molecular formula C13H10N4O5 and a molecular weight of 302.25 g/mol. Its IUPAC name is 3,5-dinitro-N'-phenylbenzohydrazide.

Molecular Properties

Compound Name3,5-dinitro-N'-phenylbenzohydrazide
PubChem CID78774569
Molecular FormulaC13H10N4O5
Molecular Weight302.25 g/mol
Exact Mass302.07
IUPAC Name3,5-dinitro-N'-phenylbenzohydrazide
SMILESO=C(NNc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C13H10N4O5/c18-13(15-14-10-4-2-1-3-5-10)9-6-11(16(19)20)8-12(7-9)17(21)22/h1-8,14H,(H,15,18)
InChIKeySNAVNSRHCZNSNX-UHFFFAOYSA-N
XLogP2.26
TPSA127.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.26
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

5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 632339
N'-(2-chlorobenzoyl)-3,5-dinitrobenzohydrazide
CID 4508937
N'-(4-nitrophenyl)-1H-pyrrole-3-carbohydrazide
CID 141450120
N-benzyl-3,5-dinitrobenzamide
CID 4296325
N-benzyl-3,5-dinitro(11C)benzamide
CID 71606848
N'-(4-nitrophenyl)pyridine-4-carbohydrazide
CID 21205889
3,4,5-trimethoxy-N'-(4-nitrophenyl)benzohydrazide
CID 3705652
methyl 3-nitro-5-[[2-nitro-4-(phenylsulfamoyl)anilino]carbamoyl]benzoate
CID 4215032
5-nitro-N'-phenylfuran-2-carbohydrazide
CID 5462738
methyl 3-nitro-5-[(2-phenylhydrazinyl)methyl]benzoate
CID 169384704
3,5-dinitro-N-(2-phenylmethoxyethyl)benzamide
CID 563554
3,5-bis[(3,5-dinitrobenzoyl)amino]benzoic acid
CID 3958102

Frequently Asked Questions

What is the IUPAC name of 3,5-dinitro-N'-phenylbenzohydrazide?
The IUPAC name of 3,5-dinitro-N'-phenylbenzohydrazide (CID 78774569) is 3,5-dinitro-N'-phenylbenzohydrazide.
What is the SMILES notation for 3,5-dinitro-N'-phenylbenzohydrazide?
The canonical SMILES for 3,5-dinitro-N'-phenylbenzohydrazide is O=C(NNc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.
What is the InChIKey of 3,5-dinitro-N'-phenylbenzohydrazide?
The InChIKey is SNAVNSRHCZNSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O5/c18-13(15-14-10-4-2-1-3-5-10)9-6-11(16(19)20)8-12(7-9)17(21)22/h1-8,14H,(H,15,18).
What are the key properties of 3,5-dinitro-N'-phenylbenzohydrazide?
3,5-dinitro-N'-phenylbenzohydrazide has a molecular weight of 302.25 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dinitro-N'-phenylbenzohydrazide is sourced from PubChem (CID 78774569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).