2,4-dinitro-N',N'-diphenylbenzohydrazide

C19H14N4O5 — CID 56698403

IUPAC2,4-dinitro-N',N'-diphenylbenzohydrazide
SMILESO=C(NN(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C19H14N4O5/c24-19(17-12-11-16(22(25)26)13-18(17)23(27)28)20-21(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H,(H,20,24)
InChIKeyYBLSWNQOGCYBJQ-UHFFFAOYSA-N
MW378.34 g/mol
LogP3.99
Rot. Bonds6

About 2,4-dinitro-N',N'-diphenylbenzohydrazide

2,4-dinitro-N',N'-diphenylbenzohydrazide (PubChem CID 56698403) has the molecular formula C19H14N4O5 and a molecular weight of 378.34 g/mol. Its IUPAC name is 2,4-dinitro-N',N'-diphenylbenzohydrazide.

Molecular Properties

Compound Name2,4-dinitro-N',N'-diphenylbenzohydrazide
PubChem CID56698403
Molecular FormulaC19H14N4O5
Molecular Weight378.34 g/mol
Exact Mass378.10
IUPAC Name2,4-dinitro-N',N'-diphenylbenzohydrazide
SMILESO=C(NN(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C19H14N4O5/c24-19(17-12-11-16(22(25)26)13-18(17)23(27)28)20-21(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H,(H,20,24)
InChIKeyYBLSWNQOGCYBJQ-UHFFFAOYSA-N
XLogP3.99
TPSA118.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
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-(2-ethylphenyl)-2,4-dinitrobenzamide
CID 4582085
N-(2-bromophenyl)-2,4-dinitrobenzamide
CID 4244481
N-naphthalen-2-yl-2,4-dinitrobenzamide
CID 3090080
2,4-dinitro-N-(4-phenylbutyl)benzamide
CID 5161239
methyl (2R)-2-[(2,4-dinitrobenzoyl)amino]propanoate
CID 2311576
2,4-dinitro-N-(2-phenoxyphenyl)benzamide
CID 4693634
(2S)-2-[(2,4-dinitrobenzoyl)amino]butanoic acid
CID 71384663
(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N',N'-diphenylacetohydrazide
CID 135650486
N-(4-hydroxy-2,6-dimethylphenyl)-2,4-dinitrobenzamide
CID 5120392
N'-methyl-5-nitro-N'-phenyl-2-pyrrolidin-1-ylbenzohydrazide
CID 9303539
1-(2,4-dinitrophenyl)propan-1-one
CID 606980
amino 2,4-dinitrobenzoate
CID 171789666

Frequently Asked Questions

What is the IUPAC name of 2,4-dinitro-N',N'-diphenylbenzohydrazide?
The IUPAC name of 2,4-dinitro-N',N'-diphenylbenzohydrazide (CID 56698403) is 2,4-dinitro-N',N'-diphenylbenzohydrazide.
What is the SMILES notation for 2,4-dinitro-N',N'-diphenylbenzohydrazide?
The canonical SMILES for 2,4-dinitro-N',N'-diphenylbenzohydrazide is O=C(NN(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2,4-dinitro-N',N'-diphenylbenzohydrazide?
The InChIKey is YBLSWNQOGCYBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O5/c24-19(17-12-11-16(22(25)26)13-18(17)23(27)28)20-21(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H,(H,20,24).
What are the key properties of 2,4-dinitro-N',N'-diphenylbenzohydrazide?
2,4-dinitro-N',N'-diphenylbenzohydrazide has a molecular weight of 378.34 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinitro-N',N'-diphenylbenzohydrazide is sourced from PubChem (CID 56698403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).