3-nitro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide

C21H17N3O5 — CID 5089126

IUPAC3-nitro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
SMILESO=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H17N3O5/c25-20(22-23-21(26)16-9-6-10-17(13-16)24(27)28)14-29-19-12-5-4-11-18(19)15-7-2-1-3-8-15/h1-13H,14H2,(H,22,25)(H,23,26)
InChIKeyOTUUVZOMWBZVHV-UHFFFAOYSA-N
MW391.38 g/mol
LogP3.10
Rot. Bonds6

About 3-nitro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide

3-nitro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide (PubChem CID 5089126) has the molecular formula C21H17N3O5 and a molecular weight of 391.38 g/mol. Its IUPAC name is 3-nitro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-nitro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
PubChem CID5089126
Molecular FormulaC21H17N3O5
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC Name3-nitro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
SMILESO=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H17N3O5/c25-20(22-23-21(26)16-9-6-10-17(13-16)24(27)28)14-29-19-12-5-4-11-18(19)15-7-2-1-3-8-15/h1-13H,14H2,(H,22,25)(H,23,26)
InChIKeyOTUUVZOMWBZVHV-UHFFFAOYSA-N
XLogP3.10
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide
CID 7434007
N-(3-nitrophenyl)-2-(2-phenylphenoxy)acetamide
CID 7779991
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589
3-(methylsulfanylmethyl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 9321776
N'-(2-naphthalen-1-yloxyacetyl)-3,5-dinitrobenzohydrazide
CID 3267740
3-(2-phenylethoxy)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 17134455
2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 78771932
N'-(3,3-diphenylpropanoyl)-3-nitrobenzohydrazide
CID 4023612
(E)-3-(4-nitrophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 6182233
4-bromo-3,5-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 27568544
N-cyclopentyl-3-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 55571075

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 3-nitro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide (CID 5089126) is 3-nitro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 3-nitro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 3-nitro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide is O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide?
The InChIKey is OTUUVZOMWBZVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O5/c25-20(22-23-21(26)16-9-6-10-17(13-16)24(27)28)14-29-19-12-5-4-11-18(19)15-7-2-1-3-8-15/h1-13H,14H2,(H,22,25)(H,23,26).
What are the key properties of 3-nitro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide?
3-nitro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide has a molecular weight of 391.38 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 5089126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).