N'-(2-naphthalen-2-yloxyacetyl)-4-nitrobenzohydrazide

C19H15N3O5 — CID 3108612

IUPACN'-(2-naphthalen-2-yloxyacetyl)-4-nitrobenzohydrazide
SMILESO=C(COc1ccc2ccccc2c1)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H15N3O5/c23-18(12-27-17-10-7-13-3-1-2-4-15(13)11-17)20-21-19(24)14-5-8-16(9-6-14)22(25)26/h1-11H,12H2,(H,20,23)(H,21,24)
InChIKeyIABFDDNEPOYCSP-UHFFFAOYSA-N
MW365.35 g/mol
LogP2.59
Rot. Bonds5

About N'-(2-naphthalen-2-yloxyacetyl)-4-nitrobenzohydrazide

N'-(2-naphthalen-2-yloxyacetyl)-4-nitrobenzohydrazide (PubChem CID 3108612) has the molecular formula C19H15N3O5 and a molecular weight of 365.35 g/mol. Its IUPAC name is N'-(2-naphthalen-2-yloxyacetyl)-4-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-(2-naphthalen-2-yloxyacetyl)-4-nitrobenzohydrazide
PubChem CID3108612
Molecular FormulaC19H15N3O5
Molecular Weight365.35 g/mol
Exact Mass365.10
IUPAC NameN'-(2-naphthalen-2-yloxyacetyl)-4-nitrobenzohydrazide
SMILESO=C(COc1ccc2ccccc2c1)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H15N3O5/c23-18(12-27-17-10-7-13-3-1-2-4-15(13)11-17)20-21-19(24)14-5-8-16(9-6-14)22(25)26/h1-11H,12H2,(H,20,23)(H,21,24)
InChIKeyIABFDDNEPOYCSP-UHFFFAOYSA-N
XLogP2.59
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 52.59
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'-[(Z)-(2-ethoxynaphthalen-1-yl)methylidene]-4-nitrobenzohydrazide
CID 5340838
2-Naphthyl 4-nitrobenzoate
CID 221858
2-Naphthalen-2-yloxy-1-[4-(4-nitrobenzoyl)piperazin-1-yl]ethanone
CID 1147903
(E)-3-(3H-benzo[f]chromen-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one
CID 155512689
N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 4635905
N'-[2-(Naphthalen-2-yloxy)acetyl]benzohydrazide
CID 2676961
[2-[2-(4-Nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 24981660
[2-[2-(4-Nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840072
1-(4-Acetylphenyl)-3-[[2-(6-methoxynaphthalen-2-yl)oxyacetyl]amino]urea
CID 24819122
2-(2-Naphthyloxy)-N'-(4-nitrobenzylidene)acetohydrazide
CID 5334663
4-nitro-N'-[2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoyl]benzohydrazide
CID 4305684
[2-[2-(4-Nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-phenoxybutanoate
CID 7185862

Frequently Asked Questions

What is the IUPAC name of N'-(2-naphthalen-2-yloxyacetyl)-4-nitrobenzohydrazide?
The IUPAC name of N'-(2-naphthalen-2-yloxyacetyl)-4-nitrobenzohydrazide (CID 3108612) is N'-(2-naphthalen-2-yloxyacetyl)-4-nitrobenzohydrazide.
What is the SMILES notation for N'-(2-naphthalen-2-yloxyacetyl)-4-nitrobenzohydrazide?
The canonical SMILES for N'-(2-naphthalen-2-yloxyacetyl)-4-nitrobenzohydrazide is O=C(COc1ccc2ccccc2c1)NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-(2-naphthalen-2-yloxyacetyl)-4-nitrobenzohydrazide?
The InChIKey is IABFDDNEPOYCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O5/c23-18(12-27-17-10-7-13-3-1-2-4-15(13)11-17)20-21-19(24)14-5-8-16(9-6-14)22(25)26/h1-11H,12H2,(H,20,23)(H,21,24).
What are the key properties of N'-(2-naphthalen-2-yloxyacetyl)-4-nitrobenzohydrazide?
N'-(2-naphthalen-2-yloxyacetyl)-4-nitrobenzohydrazide has a molecular weight of 365.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-naphthalen-2-yloxyacetyl)-4-nitrobenzohydrazide is sourced from PubChem (CID 3108612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).