2-(4-nitrophenoxy)-N'-phenylacetohydrazide

C14H13N3O4 — CID 739659

IUPAC2-(4-nitrophenoxy)-N'-phenylacetohydrazide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NNc1ccccc1
InChIInChI=1S/C14H13N3O4/c18-14(16-15-11-4-2-1-3-5-11)10-21-13-8-6-12(7-9-13)17(19)20/h1-9,15H,10H2,(H,16,18)
InChIKeyOUIFYGBOEMKCLS-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.12
Rot. Bonds6

About 2-(4-nitrophenoxy)-N'-phenylacetohydrazide

2-(4-nitrophenoxy)-N'-phenylacetohydrazide (PubChem CID 739659) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N'-phenylacetohydrazide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N'-phenylacetohydrazide
PubChem CID739659
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name2-(4-nitrophenoxy)-N'-phenylacetohydrazide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NNc1ccccc1
InChIInChI=1S/C14H13N3O4/c18-14(16-15-11-4-2-1-3-5-11)10-21-13-8-6-12(7-9-13)17(19)20/h1-9,15H,10H2,(H,16,18)
InChIKeyOUIFYGBOEMKCLS-UHFFFAOYSA-N
XLogP2.12
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.12
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 2-(4-nitrophenoxy)-N'-phenylacetohydrazide 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

2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
N'-[2-(4-nitrophenoxy)acetyl]-2-phenylacetohydrazide
CID 922307
2-(4-phenoxyphenoxy)-N'-phenylacetohydrazide
CID 78835711
N-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 3114321
2-(3,4-dimethylphenoxy)-N'-(4-nitrophenyl)acetohydrazide
CID 4682607
2-(4-nitrophenoxy)-N-phenylmethoxyacetamide
CID 41248168
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
N-(2,2-diphenylethyl)-2-(4-nitrophenoxy)acetamide
CID 41161668
N-(4-anilinophenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 4942017
2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 717631
N-(2-benzoylphenyl)-2-(4-nitrophenoxy)acetamide
CID 7816683
N-[(4-nitrophenyl)carbamoyl]-2-[4-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethoxy]phenoxy]acetamide
CID 11981942

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N'-phenylacetohydrazide?
The IUPAC name of 2-(4-nitrophenoxy)-N'-phenylacetohydrazide (CID 739659) is 2-(4-nitrophenoxy)-N'-phenylacetohydrazide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N'-phenylacetohydrazide?
The canonical SMILES for 2-(4-nitrophenoxy)-N'-phenylacetohydrazide is O=C(COc1ccc([N+](=O)[O-])cc1)NNc1ccccc1.
What is the InChIKey of 2-(4-nitrophenoxy)-N'-phenylacetohydrazide?
The InChIKey is OUIFYGBOEMKCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-14(16-15-11-4-2-1-3-5-11)10-21-13-8-6-12(7-9-13)17(19)20/h1-9,15H,10H2,(H,16,18).
What are the key properties of 2-(4-nitrophenoxy)-N'-phenylacetohydrazide?
2-(4-nitrophenoxy)-N'-phenylacetohydrazide has a molecular weight of 287.28 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N'-phenylacetohydrazide is sourced from PubChem (CID 739659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).