N'-[2-(2,6-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide

C17H17N3O5 — CID 4503208

IUPACN'-[2-(2,6-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H17N3O5/c1-11-4-3-5-12(2)16(11)25-10-15(21)18-19-17(22)13-6-8-14(9-7-13)20(23)24/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyOXIFSMBWAFGBNZ-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.05
Rot. Bonds5

About N'-[2-(2,6-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide

N'-[2-(2,6-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide (PubChem CID 4503208) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is N'-[2-(2,6-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,6-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide
PubChem CID4503208
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN'-[2-(2,6-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H17N3O5/c1-11-4-3-5-12(2)16(11)25-10-15(21)18-19-17(22)13-6-8-14(9-7-13)20(23)24/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyOXIFSMBWAFGBNZ-UHFFFAOYSA-N
XLogP2.05
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.05
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'}

Analyze N'-[2-(2,6-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 3341760
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(methylamino)-5-nitrobenzohydrazide
CID 24531978
N'-[2-(3,4-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 3154306
N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]-3,5-dinitrobenzamide
CID 4506057
3-methyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 932571
4-ethyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 78780603
N'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 9314835
2-methyl-N'-(4-nitrobenzoyl)benzohydrazide
CID 3762572
methyl 3-[2-(4-nitrobenzoyl)hydrazinyl]-3-oxopropanoate
CID 22911679
N'-[2-(2,6-dimethylphenoxy)acetyl]-4-heptoxybenzohydrazide
CID 4950737
4-hexoxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 4930776
4-heptoxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 4950785

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,6-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide?
The IUPAC name of N'-[2-(2,6-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide (CID 4503208) is N'-[2-(2,6-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide.
What is the SMILES notation for N'-[2-(2,6-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide?
The canonical SMILES for N'-[2-(2,6-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide is Cc1cccc(C)c1OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-[2-(2,6-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide?
The InChIKey is OXIFSMBWAFGBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-11-4-3-5-12(2)16(11)25-10-15(21)18-19-17(22)13-6-8-14(9-7-13)20(23)24/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-[2-(2,6-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide?
N'-[2-(2,6-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide has a molecular weight of 343.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,6-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide is sourced from PubChem (CID 4503208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).