N'-[2-(2-methylphenoxy)propanoyl]-4-nitrobenzohydrazide

C17H17N3O5 — CID 4931669

IUPACN'-[2-(2-methylphenoxy)propanoyl]-4-nitrobenzohydrazide
SMILESCc1ccccc1OC(C)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H17N3O5/c1-11-5-3-4-6-15(11)25-12(2)16(21)18-19-17(22)13-7-9-14(10-8-13)20(23)24/h3-10,12H,1-2H3,(H,18,21)(H,19,22)
InChIKeyAAZZKPAOLGYWIO-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.13
Rot. Bonds5

About N'-[2-(2-methylphenoxy)propanoyl]-4-nitrobenzohydrazide

N'-[2-(2-methylphenoxy)propanoyl]-4-nitrobenzohydrazide (PubChem CID 4931669) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is N'-[2-(2-methylphenoxy)propanoyl]-4-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-methylphenoxy)propanoyl]-4-nitrobenzohydrazide
PubChem CID4931669
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN'-[2-(2-methylphenoxy)propanoyl]-4-nitrobenzohydrazide
SMILESCc1ccccc1OC(C)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H17N3O5/c1-11-5-3-4-6-15(11)25-12(2)16(21)18-19-17(22)13-7-9-14(10-8-13)20(23)24/h3-10,12H,1-2H3,(H,18,21)(H,19,22)
InChIKeyAAZZKPAOLGYWIO-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
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'-[(2R)-2-(4-nitrophenoxy)propanoyl]benzohydrazide
CID 8864494
N'-[2-(4-nitrophenoxy)propanoyl]benzohydrazide
CID 4951406
N'-[2-(4-nitrophenoxy)propanoyl]-4-phenylbenzohydrazide
CID 4951357
N-[4-[[2-(2-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide
CID 4931723
4-tert-butyl-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 4944277
3-methyl-N'-[2-(2-methylphenoxy)propanoyl]benzohydrazide
CID 4010185
N'-[2-(2,5-dimethylphenoxy)propanoyl]-3-nitrobenzohydrazide
CID 4945052
3-bromo-4-methyl-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 4944269
4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 8880270
N'-[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-3-nitrobenzohydrazide
CID 9297964
2-methyl-N'-(4-nitrobenzoyl)benzohydrazide
CID 3762572
N'-[2-(2-chlorophenoxy)propanoyl]-3-nitrobenzohydrazide
CID 4932285

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methylphenoxy)propanoyl]-4-nitrobenzohydrazide?
The IUPAC name of N'-[2-(2-methylphenoxy)propanoyl]-4-nitrobenzohydrazide (CID 4931669) is N'-[2-(2-methylphenoxy)propanoyl]-4-nitrobenzohydrazide.
What is the SMILES notation for N'-[2-(2-methylphenoxy)propanoyl]-4-nitrobenzohydrazide?
The canonical SMILES for N'-[2-(2-methylphenoxy)propanoyl]-4-nitrobenzohydrazide is Cc1ccccc1OC(C)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-[2-(2-methylphenoxy)propanoyl]-4-nitrobenzohydrazide?
The InChIKey is AAZZKPAOLGYWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-11-5-3-4-6-15(11)25-12(2)16(21)18-19-17(22)13-7-9-14(10-8-13)20(23)24/h3-10,12H,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-[2-(2-methylphenoxy)propanoyl]-4-nitrobenzohydrazide?
N'-[2-(2-methylphenoxy)propanoyl]-4-nitrobenzohydrazide has a molecular weight of 343.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methylphenoxy)propanoyl]-4-nitrobenzohydrazide is sourced from PubChem (CID 4931669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).