2-nitro-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide

C21H17N3O5 — CID 4512739

IUPAC2-nitro-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C21H17N3O5/c25-20(22-23-21(26)18-8-4-5-9-19(18)24(27)28)14-29-17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-13H,14H2,(H,22,25)(H,23,26)
InChIKeyPFHXGMUQIIQBKT-UHFFFAOYSA-N
MW391.38 g/mol
LogP3.10
Rot. Bonds6

About 2-nitro-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide

2-nitro-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide (PubChem CID 4512739) has the molecular formula C21H17N3O5 and a molecular weight of 391.38 g/mol. Its IUPAC name is 2-nitro-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-nitro-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide
PubChem CID4512739
Molecular FormulaC21H17N3O5
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC Name2-nitro-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C21H17N3O5/c25-20(22-23-21(26)18-8-4-5-9-19(18)24(27)28)14-29-17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-13H,14H2,(H,22,25)(H,23,26)
InChIKeyPFHXGMUQIIQBKT-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-[4-(2-methylbutan-2-yl)phenoxy]acetyl]-2-nitrobenzohydrazide
CID 17093334
2-nitro-N-[[(2-phenoxyacetyl)amino]carbamothioyl]benzamide
CID 3469551
N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-2-nitrobenzamide
CID 3138382
N'-(4-ethoxybenzoyl)-2-nitrobenzohydrazide
CID 4948668
N'-[4-(2-methoxyethoxy)benzoyl]-2-nitrobenzohydrazide
CID 17353581
5-[2-(2-nitrobenzoyl)hydrazinyl]-5-oxopentanoic acid
CID 4949721
2-nitro-N-(4-phenylphenyl)benzamide
CID 3096329
2-[4-(4-methylphenyl)phenoxy]-N-(2-nitrophenyl)acetamide
CID 2789918
N-[[[2-(4-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-2-nitrobenzamide
CID 4923804
N'-acetyl-2-(4-phenylphenoxy)acetohydrazide
CID 3274977
4-nitro-N-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 3279473
[(2-nitrobenzoyl)amino]urea
CID 61061190

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 2-nitro-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide (CID 4512739) is 2-nitro-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 2-nitro-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 2-nitro-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide is O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide?
The InChIKey is PFHXGMUQIIQBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O5/c25-20(22-23-21(26)18-8-4-5-9-19(18)24(27)28)14-29-17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-13H,14H2,(H,22,25)(H,23,26).
What are the key properties of 2-nitro-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide?
2-nitro-N'-[2-(4-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 2-nitro-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 4512739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).